SCHEMBL1845495

SCHEMBL1845495

CC(C)N1Cc2nc(N3CCNCC3)ncc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 18/20 0.45
CYP1A2 P05177 18/20 0.45
HSD17B10 Q99714 15/20 0.45
CASP1 P29466 14/20 0.45
CASP7 P55210 14/20 0.45
CYP3A4 P08684 10/20 0.45
HPGD P15428 9/20 0.45
CYP2C19 P33261 7/20 0.45
TSHR P16473 4/20 0.45
USP2 O75604 8/20 0.45
P2RX3 P56373 1/20 0.43
CYP2C9 P11712 9/20 0.38
HIF1A Q16665 6/20 0.38
GLA P06280 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
CYP2D6 P10635 2/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1849377 0.88 ALDH1A1 (0.42) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL1849473 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL1844713 0.80 ALDH1A1 (0.43) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL1844326 0.80 ALDH1A1 (0.43) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL8810726 0.80 ALDH1A1 (0.43) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL9686640 0.78 ALDH1A1 (0.44) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL9686720 0.77 HTT (0.61) ALDH1A1HSD17B10CASP1HPGDTSHR
SCHEMBL1921498 0.76 ALDH1A1 (0.42) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL9684477 0.75 HSD17B10 (0.49) ALDH1A1CYP1A2HSD17B10CASP1CASP7
Maleic Acid SCHEMBL2874748 0.75 HSD17B10 (0.41) ALDH1A1CYP1A2HSD17B10CASP1CASP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324023-A1 VIGOR ENHANCEMENT VIA ADMINISTRATION OF PYRIMIDINE DERIVATIVES UNIVERSITY OF CENTRAL FLORIDA (US) 2011-05-25 EP claimed
WO-2009070164-A1 VIGOR ENHANCEMENT VIA ADMINISTRATION OF PYRIMIDINE DERIVATIVES UNIVERSITY OF CENTRAL FLORIDA (US) 2009-06-04 WO claimed
US-20080124306-A1 Vigor Enhancement Via Administration of Pyrimidine Derivatives UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2008-05-29 US claimed
US-20230302000-A1 COMBINATION DRUG TREATMENT TO INCREASE NEUROGENESIS FOR NEUROLOGICAL DISORDERS Progenicyte Therapeutics, Inc. (US) 2023-09-28 US disclosed
US-20210046079-A1 COMBINATION THERAPY TO IMPROVE BRAIN FUNCTION OR PROMOTE NEUROGENESIS FOR TREATING NEURODEGENERATIVE CONDITIONS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2021-02-18 US disclosed
US-20200246334-A1 VIGOR ENHANCEMENT VIA ADMINISTRATION OF PYRIMIDINE DERIVATIVES UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2020-08-06 US disclosed
US-20190167674-A1 VIGOR ENHANCEMENT VIA ADMINISTRATION OF PYRIMIDINE DERIVATIVES UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2019-06-06 US disclosed
US-20180092913-A1 VIGOR ENHANCEMENT VIA ADMINISTRATION OF PYRIMIDINE DERIVATIVES UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2018-04-05 US disclosed
EP-2326330-B1 COMPOSITIONS FOR TREATING OR DELAYING THE ONSET OF HAIR LOSS UNIV CENTRAL FLORIDA RES FOUND (US) 2015-01-07 EP disclosed
US-8791128-B2 Compositions for treating or delaying the onset of hair loss UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-07-29 US disclosed
US-20110190320-A1 Compositions for Treating or Delaying the Onset of Hair Loss UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2011-08-04 US disclosed
WO-2006133876-A1 USE OF PYRIMIDINE DERIVATIVES FOR COSMETIC PURPOSES DSM IP ASSETS B.V. (NL) 2006-12-21 WO disclosed
US-5976523-A PIPERIDINE- OR PIPERAZINE-SUBSTITUTED PYRROLOPYRIMIDINES MITSUI PHARMACEUTICALS, INC. (JP) 1999-11-02 US disclosed
EP-0743066-A2 Wound-healing agent MITSUI PHARMACEUTICALS, INC. (JP) 1996-11-20 EP disclosed
EP-0188094-B1 QUINAZOLINE DERIVATIVES AND ANTIHYPERTENSIVE PREPARATIONS CONTAINING SAME AS EFFECTIVE COMPONENTS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
EP-0192783-B1 2-PIPERAZINOPYRIMIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-04-17 EP disclosed
US-4742165-A HERBICIDES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-05-03 US disclosed
US-4734418-A Quinazoline compounds and antihypertensives MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-03-29 US disclosed
EP-0192783-A1 2-PIPERAZINOPYRIMIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-09-03 EP disclosed
EP-0188094-A2 Quinazoline derivatives and antihypertensive preparations containing same as effective components MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-07-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080124306-A1 Vigor Enhancement Via Administration of Pyrimidine Derivatives TYMP, SLC18A3, SLC18A2 ALDH1A1 318/4885CYP1A2 800/4885HSD17B10 2975/4885
US-20190167674-A1 VIGOR ENHANCEMENT VIA ADMINISTRATION OF PYRIMIDINE DERIVATIVES TYMP, SLC18A3, SLC18A2 ALDH1A1 318/4885CYP1A2 800/4885HSD17B10 2975/4885
US-20210046079-A1 COMBINATION THERAPY TO IMPROVE BRAIN FUNCTION OR PROMOTE NEUROGENESIS FOR TREATING NEURODEGENERATIVE CONDITIONS PSEN1, PSEN2, NES ALDH1A1 4397/4885CYP1A2 4466/4885HSD17B10 873/4885
US-20110190320-A1 Compositions for Treating or Delaying the Onset of Hair Loss SHBG, CYP19A1, TYMP ALDH1A1 1649/4885CYP1A2 1268/4885HSD17B10 518/4885
US-20180092913-A1 VIGOR ENHANCEMENT VIA ADMINISTRATION OF PYRIMIDINE DERIVATIVES TYMP, SLC18A3, SLC18A2 ALDH1A1 318/4885CYP1A2 800/4885HSD17B10 2975/4885
US-20230302000-A1 COMBINATION DRUG TREATMENT TO INCREASE NEUROGENESIS FOR NEUROLOGICAL DISORDERS NES, PSEN1, PSEN2 ALDH1A1 2409/4885CYP1A2 4390/4885HSD17B10 4301/4885
US-20200246334-A1 VIGOR ENHANCEMENT VIA ADMINISTRATION OF PYRIMIDINE DERIVATIVES TYMP, SLC18A3, SLC18A2 ALDH1A1 318/4885CYP1A2 800/4885HSD17B10 2975/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.