SCHEMBL1894901

SCHEMBL1894901

Nc1[nH]nc2c(Cl)nc3ccccc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
TP53 P04637 2/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
CCNT1 O60563 1/20 0.44
CYP1A2 P05177 1/20 0.44
CDK1 P06493 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CCNB1 P14635 1/20 0.44
EIF2AK2 P19525 1/20 0.44
CCNA2 P20248 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CYP2C19 P33261 1/20 0.44
GSK3B P49841 1/20 0.44
CDK9 P50750 1/20 0.44
GAA P10253 2/20 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
SCHEMBL1897471 0.83 KMT2A (0.46) KMT2AMAPTMEN1TP53CDK5
SCHEMBL14324206 0.81 CHEK1 (0.44) NOS1MAOATDP1ELANEMAOB
SCHEMBL14323875 0.77 ELANE (0.38) MAPTGAANOS1KDM4EMAOA
SCHEMBL1898650 0.76 NOS1 (0.37) KMT2AMAPTMEN1TP53CDK5
SCHEMBL14323570 0.75 PIM1 (0.41) KMT2AMAPTMEN1CYP1A2CYP3A4
SCHEMBL18264145 0.74 CHEK1 (0.49) KMT2AMAPTTP53CDK5CYP3A4
SCHEMBL5511254 0.74 GAA (0.38) KMT2AMAPTMEN1CDK5CYP1A2
SCHEMBL21670137 0.70 EGFR (0.50) KMT2AMEN1TP53GSK3BGAA
SCHEMBL841735 0.69 QTRT1 (0.49) KMT2AMAPTMEN1TP53CDK5
SCHEMBL730937 0.68 MAOA (0.44) KMT2AMAPTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 US disclosed
EP-1869043-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-26 EP disclosed
WO-2006107853-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 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-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof IL4, IL2, IL1A KMT2A 3322/4885MAPT 3181/4885MEN1 2626/4885

“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.