SCHEMBL4772265

SCHEMBL4772265

CCn1ncc2c(-c3ccccc3)c(C#N)c(-c3ccccc3)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.53
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA1 P30542 6/20 0.45
ADORA2A P29274 5/20 0.45
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
SQOR Q9Y6N5 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4769789 0.84 ADORA1 (0.42) GRM5TSHRMEN1CYP1A2CYP2C9
SCHEMBL4774800 0.82 ADORA1 (0.43) GRM5TSHRADORA1ADORA2AALDH1A1
SCHEMBL4772261 0.80 PDE5A (0.44) GRM5ADORA1ADORA2AALDH1A1HPGD
SCHEMBL4778930 0.80 KDM4E (0.43) MEN1KMT2AADORA1ADORA2AALDH1A1
SCHEMBL1385040 0.79 KDM4E (0.42) MEN1KMT2AADORA1ADORA2AALDH1A1
SCHEMBL4778920 0.78 GRM5 (0.40) GRM5ADORA1ADORA2AALDH1A1HPGD
SCHEMBL4772590 0.78 KDM4E (0.41) MEN1KMT2AADORA1ADORA2AALDH1A1
SCHEMBL4776347 0.78 CYP11B2 (0.38) TSHRADORA1ADORA2AALDH1A1HPGD
SCHEMBL4772785 0.75 GLA (0.46) TSHRMEN1KMT2AALDH1A1HPGD
SCHEMBL4772301 0.73 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459451-B2 e.g. 1-Ethyl-4-(5-methyl-3-pyridyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid; phosphodiesterase (PDE)-IV inhibitor or tumor necrosis factor (TNF)- alpha antagonist; autoimmune diseases, antidepressant, anxiolytic agent; polychondritis, scleroderma, fibrosis, arthritis, Alzheimer's disease ASTELLAS PHARMA INC. (JP) 2008-12-02 US disclosed
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP disclosed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 US 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-20060004003-A1 Pyrazolopyridine derivatives PDE4A, PDE3B, PDE5A GRM5 2175/4885TSHR 1221/4885MEN1 3100/4885

“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.