SCHEMBL5258995

SCHEMBL5258995

NC(=O)C(=Cc1c[nH]c2ncccc12)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.62
KMT2A Q03164 1/20 0.51
CAMKK2 Q96RR4 2/20 0.46
KIF20A O95235 2/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CDK5 Q00535 1/20 0.46
DYRK1A Q13627 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
NEK2 P51955 2/20 0.44
PLK1 P53350 1/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
SARM1 Q6SZW1 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 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
SCHEMBL5258993 1.00 CHEK1 (0.62) CHEK1KMT2ACAMKK2KIF20ACLK1
SCHEMBL5258592 0.90 KMT2A (0.54) CHEK1KMT2ACAMKK2DYRK1ACLK4
SCHEMBL5257623 0.90 KMT2A (0.54) CHEK1KMT2ACAMKK2DYRK1ACLK4
SCHEMBL5257618 0.90 KMT2A (0.54) CHEK1KMT2ACAMKK2DYRK1ACLK4
SCHEMBL5258189 0.89 CHEK1 (0.63) CHEK1KMT2ACAMKK2KIF20ACLK1
SCHEMBL5258187 0.89 CHEK1 (0.63) CHEK1KMT2ACAMKK2KIF20ACLK1
SCHEMBL5258102 0.85 KMT2A (0.51) CHEK1KMT2ACAMKK2NEK2PLK1
SCHEMBL5258105 0.85 KMT2A (0.51) CHEK1KMT2ACAMKK2NEK2PLK1
SCHEMBL5262064 0.85 KMT2A (0.51) CHEK1KMT2ACAMKK2CDK5CDK5R1
SCHEMBL5262067 0.85 KMT2A (0.51) CHEK1KMT2ACAMKK2CDK5CDK5R1

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 9 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
EP-1309590-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-05-14 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
WO-2001098299-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 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-20030004350-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS FFAR4, AZI2, CNKSR1 CHEK1 337/4885KMT2A 1011/4885CAMKK2 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.