SCHEMBL5258592

SCHEMBL5258592

NC(=O)/C(=C\c1c[nH]c2ncccc12)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
CHEK1 O14757 2/20 0.52
CAMKK2 Q96RR4 2/20 0.48
NEK2 P51955 2/20 0.46
PLK1 P53350 1/20 0.45
CDC7 O00311 2/20 0.43
MAP2K1 Q02750 1/20 0.43
HASPIN Q8TF76 3/20 0.42
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
MET P08581 2/20 0.42
ADORA2A P29274 1/20 0.42
MAP4K4 O95819 1/20 0.41
CDK8 P49336 1/20 0.41
DYRK1A Q13627 1/20 0.41
MELK Q14680 1/20 0.41
MAPK14 Q16539 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
STK17A Q9UEE5 1/20 0.41
DYRK1B Q9Y463 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
SCHEMBL5257618 1.00 KMT2A (0.54) KMT2ACHEK1CAMKK2NEK2PLK1
SCHEMBL5257623 1.00 KMT2A (0.54) KMT2ACHEK1CAMKK2NEK2PLK1
SCHEMBL5263639 0.93 CAMKK2 (0.53) KMT2ACHEK1CAMKK2NEK2PLK1
SCHEMBL5263637 0.93 CAMKK2 (0.53) KMT2ACHEK1CAMKK2NEK2PLK1
SCHEMBL5258995 0.90 CHEK1 (0.62) KMT2ACHEK1CAMKK2NEK2PLK1
SCHEMBL5262067 0.90 KMT2A (0.51) KMT2ACHEK1CAMKK2NEK2PLK1
SCHEMBL5258105 0.90 KMT2A (0.51) KMT2ACHEK1CAMKK2NEK2PLK1
SCHEMBL5262064 0.90 KMT2A (0.51) KMT2ACHEK1CAMKK2NEK2PLK1
SCHEMBL5258993 0.90 CHEK1 (0.62) KMT2ACHEK1CAMKK2NEK2PLK1
SCHEMBL5258102 0.90 KMT2A (0.51) KMT2ACHEK1CAMKK2NEK2PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309590-B1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-09-19 EP claimed
US-20030004350-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN (IT) 2003-01-02 US claimed
US-6335342-B1 1H-PYRROLO(2,3-B)PYRIDINE DERIVATIVES; ANTICARCINOGENIC, ANTIMETASTASIS, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-01-01 US claimed
EP-1309590-B1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-09-19 EP disclosed
US-20030004350-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN (IT) 2003-01-02 US disclosed
US-6486322-B1 Azaindole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2002-11-26 US disclosed
US-6335342-B1 1H-PYRROLO(2,3-B)PYRIDINE DERIVATIVES; ANTICARCINOGENIC, ANTIMETASTASIS, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-01-01 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-20030004350-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS FFAR4, AZI2, CNKSR1 KMT2A 1011/4885CHEK1 337/4885CAMKK2 2052/4885

“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.