SCHEMBL10151124

SCHEMBL10151124

Cc1cc2c(C)n(C)nc2cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ CHEK1 O14757 1/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ GRK5 P34947 1/20 0.44
▸ LIMK1 P53667 1/20 0.44
▸ GAA P10253 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ GALR2 O43603 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36

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
SCHEMBL16898837 0.83 MAPT (0.43) MAPTALDH1A1POLBCHEK1DAPK3
SCHEMBL1027382 0.76 MAPT (0.44) MAPTALDH1A1POLBCHEK1DAPK3
SCHEMBL16631127 0.76 MAPT (0.40) MAPTALDH1A1POLBCHEK1DAPK3
SCHEMBL16898832 0.76 ALDH1A1 (0.50) MAPTALDH1A1GAALMNAHTT
SCHEMBL17348186 0.76 ADORA2A (0.41) MAPTALDH1A1CHEK1DAPK3GRK5
SCHEMBL588588 0.75 MAPT (0.53) MAPTALDH1A1POLBCHEK1DAPK3
SCHEMBL27227917 0.73 MAPT (0.58) MAPTALDH1A1POLBGAALMNA
SCHEMBL16898770 0.72 MAPT (0.47) MAPTALDH1A1GAALMNAHTT
SCHEMBL27647530 0.72 NSD2 (0.44) MAPTALDH1A1POLBCHEK1DAPK3
SCHEMBL8053279 0.71 TSHR (0.58) MAPTALDH1A1GAAHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277258-A1 Chemical Compounds LEO OSPREY LIMITED (JE) 2012-11-01 — — US disclosed
US-8114885-B2 Pazopanib hydrochloride and synthesis, chemical intermediates, and dosage forms thereof; anticancer; colon cancer, breast cancer GLAXOSMITHKLINE LLC (US) 2012-02-14 — — US disclosed
US-7858626-B2 Pyrimidineamines as angiogenesis modulators GLAXOSMITHKLINE LLC (US) 2010-12-28 — — US disclosed
US-20100105712-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-04-29 — — US disclosed
US-20070292513-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-12-20 — — US disclosed
US-20070270427-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-11-22 — — US disclosed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 — — US disclosed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 — — 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 (5 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-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 MAPT 3547/4885ALDH1A1 945/4885POLB 122/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 MAPT 3547/4885ALDH1A1 945/4885POLB 122/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 MAPT 3547/4885ALDH1A1 945/4885POLB 122/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 MAPT 3547/4885ALDH1A1 945/4885POLB 122/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 MAPT 3547/4885ALDH1A1 945/4885POLB 122/4885

“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.

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