SCHEMBL2581914

SCHEMBL2581914

Oc1n[nH]cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
ALDH1A1 P00352 3/20 0.43
BCL2L1 Q07817 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALOX5 P09917 2/20 0.39
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
ALOX15 P16050 2/20 0.38
RPS6KA3 P51812 2/20 0.38
ADORA2A P29274 1/20 0.37
MMP3 P08254 1/20 0.36
PARP1 P09874 1/20 0.35
ESR2 Q92731 1/20 0.35
LMNA P02545 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL1386613 0.81 LMNA (0.40) HSD17B10RPS6KA3LMNACDK5CLK4
SCHEMBL1384288 0.79 KMT2A (0.38) ALDH1A1HPGDAKT1AKT2ALOX15
SCHEMBL7096615 0.79 KMT2A (0.38) HPGDHSD17B10ALOX5ALOX15LMNA
SCHEMBL12789280 0.79 MEN1 (0.40) HSD17B10ALOX5RPS6KA3LMNA
SCHEMBL2581886 0.77 IDO1 (0.44) ALDH1A1HPGDHSD17B10ALOX15LMNA
SCHEMBL218119 0.77 ALOX15 (0.52) ALDH1A1HPGDHSD17B10AKT1AKT2
SCHEMBL544598 0.76 MAP4K4 (0.48) ALDH1A1HPGDHSD17B10AKT1AKT2
SCHEMBL5951254 0.75 TDO2 (0.39) BACE1ALDH1A1BCL2L1HPGDHSD17B10
SCHEMBL25233662 0.75 PDCD1 (0.37) ADORA2APARP1
SCHEMBL28231613 0.75 HRH3 (0.45) AKT2FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0446993-B1 Light stable physical developer JANSSEN PHARMACEUTICA NV (BE) 1997-06-04 EP claimed
US-20250353851-A1 PURINES AND METHODS OF THEIR USE KINETA INC (US) 2025-11-20 US disclosed
CN-119031913-A Purine and methods of use thereof 奇尼塔公司 2024-11-26 CN disclosed
EP-4444312-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 EP disclosed
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
US-8048893-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2011-11-01 US disclosed
CN-102174017-A Pyrazolyl derivatives in the form of drugs for treating acute or chronic neuronal regressions AVENTIS PHARMA SA 2011-09-07 CN disclosed
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2009-07-02 US disclosed
US-7524838-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2009-04-28 US disclosed
EP-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP disclosed
CN-1906172-A Pyrazole derivatives as medicaments for the treatment of acute or chronic neuronal degeneration AVENTIS PHARMA SA (FR) 2007-01-31 CN disclosed
EP-1689720-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS Aventis Pharma S.A. (FR) 2006-08-16 EP disclosed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO disclosed
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2005-07-28 US disclosed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 WO disclosed
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 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-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1R, CBR3, C3AR1 BACE1 3234/4885ALDH1A1 2487/4885BCL2L1 3876/4885
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them C1R, CBR3, C3AR1 BACE1 3301/4885ALDH1A1 2499/4885BCL2L1 3856/4885
US-20250353851-A1 PURINES AND METHODS OF THEIR USE TDP1, TDP2, PIKFYVE BACE1 268/4885ALDH1A1 4617/4885BCL2L1 4034/4885

“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.