SCHEMBL7204068

SCHEMBL7204068

c1ccc(Nc2cc(-c3c[nH]c4ccccc34)[nH]n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 4/20 0.62
MAPT P10636 6/20 0.49
GAA P10253 4/20 0.49
TP53 P04637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
CHEK1 O14757 1/20 0.48
PRKCB P05771 1/20 0.48
PRKCA P17252 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
THRB P10828 2/20 0.45
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL7204485 0.84 TNIK (0.60) TNIKCDK2
SCHEMBL21247521 0.77 TNIK (1.00) TNIK
SCHEMBL29966066 0.77 TNIK (1.00) TNIK
SCHEMBL25034318 0.76 MAPT (0.57) TNIKMAPTALDH1A1HSD17B10MEN1
SCHEMBL10118731 0.75 TNIK (0.55) TNIKMAPTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13953170 0.75 TNIK (0.49) TNIKMAPTALDH1A1HSD17B10MEN1
SCHEMBL21253108 0.75 TNIK (1.00) TNIK
SCHEMBL29965901 0.75 TNIK (1.00) TNIK
SCHEMBL21248463 0.75 TNIK (1.00) TNIK
SCHEMBL29966109 0.75 TNIK (1.00) TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274706-A1 PYRAZOLES FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2003-01-15 EP disclosed
US-6462069-B2 KINASE INHIBITORS; ANTICANCER AGENTS AGOURON PHARMACEUTICALS, INC. 2002-10-08 US disclosed
WO-2001079198-A9 PYRAZOLES FOR INHIBITING PROTEIN KINASE AGOURON PHARMA (US) 2002-05-16 WO disclosed
US-20020006952-A1 Compounds, pharmaceutical compositions, and methods for inhibiting protein kinases LIGHPOINTE COMMUNICATION, INC. 2002-01-17 US disclosed
WO-2001079198-A1 PYRAZOLES FOR INHIBITING PROTEIN KINASE AGOURON PHARMACEUTICALS, INC. (US) 2001-10-25 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-20020006952-A1 Compounds, pharmaceutical compositions, and methods for inhibiting protein kinases CDK3, CCNK, CDK1 TNIK 304/4885MAPT 1068/4885GAA 2707/4885

“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.