SCHEMBL3304391

SCHEMBL3304391

Cc1ccc(C)c(-n2nc(C)cc2N)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.53
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 3/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 2/20 0.46
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
HSD17B10 Q99714 1/20 0.44
MAPT P10636 5/20 0.43
OPRM1 P35372 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL15428757 0.83 ALDH1A1 (0.53) ALDH1A1MEN1KMT2APOLBCYP1A2
SCHEMBL404099 0.83 ALDH1A1 (0.53) ALDH1A1MEN1KMT2APOLBCYP1A2
SCHEMBL3869436 0.81 KDM4E (0.43) ALDH1A1MEN1KMT2APOLBCYP1A2
SCHEMBL11326122 0.80 LMNA (0.53) ALDH1A1MEN1KMT2APOLBCYP1A2
SCHEMBL1143383 0.80 CYP1A2 (0.62) ALDH1A1MEN1KMT2APOLBCYP1A2
SCHEMBL11443464 0.79 MAPT (0.43) ALDH1A1MEN1KMT2AMAPK1LMNA
Hydrochloric Acid SCHEMBL11473767 0.79 CYP1A2 (0.61) ALDH1A1MEN1KMT2APOLBCYP1A2
SCHEMBL224624 0.76 CYP1A2 (0.72) ALDH1A1MEN1KMT2APOLBCYP1A2
SCHEMBL3860413 0.76 RAB9A (0.68) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL15428582 0.75 HSD17B10 (0.44) ALDH1A1POLBCYP2C19MAPK1LMNA

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
CN-112300157-B Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof 烟台大学 2021-08-20 CN disclosed
CN-112300157-A Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof 烟台大学 2021-02-02 CN disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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 (1 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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT ALDH1A1 260/4885MEN1 3449/4885KMT2A 3072/4885

“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.