SCHEMBL4293606

SCHEMBL4293606

CCC1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.39
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
ALDH1A1 P00352 7/20 0.36
CYP1A2 P05177 7/20 0.36
HSD17B10 Q99714 6/20 0.36
USP2 O75604 5/20 0.36
CASP1 P29466 3/20 0.36
CASP7 P55210 3/20 0.36
USP1 O94782 3/20 0.36
GLA P06280 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP2D6 P10635 1/20 0.35
HTR3A P46098 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
LMNA P02545 2/20 0.34

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
Maleic Acid SCHEMBL8579856 0.91 MAPK8 (0.35) SMOMAPK8MAPK10ALDH1A1CYP1A2
SCHEMBL1845608 0.86 ALDH1A1 (0.38) ALDH1A1CYP1A2HSD17B10USP2CASP1
SCHEMBL1845477 0.83 ALDH1A1 (0.49) ALDH1A1CYP1A2HSD17B10USP2CASP1
SCHEMBL1846364 0.82 LMNA (0.42) ALDH1A1CYP1A2HSD17B10USP2CASP1
SCHEMBL1844792 0.81 POLB (0.43) ALDH1A1CYP1A2HSD17B10USP2CASP1
SCHEMBL1848137 0.79 KDM4E (0.51) ALDH1A1CYP1A2HSD17B10USP2CASP1
SCHEMBL1848688 0.79 ALDH1A1 (0.37) ALDH1A1CYP1A2HSD17B10USP2CASP1
SCHEMBL1847339 0.79 ALDH1A1 (0.48) ALDH1A1CYP1A2HSD17B10USP2CASP1
SCHEMBL8809486 0.76 PTPN11 (0.48) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL1848808 0.76 SMO (0.46) SMOALDH1A1CYP1A2HSD17B10USP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5976523-A PIPERIDINE- OR PIPERAZINE-SUBSTITUTED PYRROLOPYRIMIDINES MITSUI PHARMACEUTICALS, INC. (JP) 1999-11-02 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-20090087462-A1 Use of pyrimidine derivatives for cosmetic purposes TREMBLEY MARCELLA 2009-04-02 US disclosed
EP-1890673-A1 USE OF PYRIMIDINE DERIVATIVES FOR COSMETIC PURPOSES DSMIP Assets B.V. (NL) 2008-02-27 EP disclosed
WO-2006133876-A1 USE OF PYRIMIDINE DERIVATIVES FOR COSMETIC PURPOSES DSM IP ASSETS B.V. (NL) 2006-12-21 WO 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 (3 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-20210046079-A1 COMBINATION THERAPY TO IMPROVE BRAIN FUNCTION OR PROMOTE NEUROGENESIS FOR TREATING NEURODEGENERATIVE CONDITIONS PSEN1, PSEN2, NES SMO 1060/4885MAPK8 538/4885MAPK10 1229/4885
US-20090087462-A1 Use of pyrimidine derivatives for cosmetic purposes TYMP, TYMS, UNG SMO 582/4885MAPK8 3133/4885MAPK10 3439/4885
US-20230302000-A1 COMBINATION DRUG TREATMENT TO INCREASE NEUROGENESIS FOR NEUROLOGICAL DISORDERS NES, PSEN1, PSEN2 SMO 123/4885MAPK8 26/4885MAPK10 368/4885

“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.