SCHEMBL5263727

SCHEMBL5263727

O=C(O)C(=Cc1c[nH]c2nc(NCS(=O)(=O)c3ccccc3)ccc12)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
AKR1C1 Q04828 3/20 0.37
AKR1C2 P52895 2/20 0.37
PTGS2 P35354 2/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA2A P29274 1/20 0.34
AKR1C3 P42330 2/20 0.33
FGFR4 P22455 2/20 0.32
HSD11B1 P28845 1/20 0.32
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL5263723 1.00 MAPT (0.41) MAPTAKR1C1AKR1C2PTGS2ALDH1A1
SCHEMBL5261411 0.92 MAPT (0.39) MAPTALDH1A1TP53TDP1ADORA2A
SCHEMBL5261409 0.92 MAPT (0.39) MAPTALDH1A1TP53TDP1ADORA2A
SCHEMBL5260911 0.84 AKR1C1 (0.41) AKR1C1AKR1C2PTGS2ALDH1A1AKR1C3
SCHEMBL5260914 0.84 AKR1C1 (0.41) AKR1C1AKR1C2PTGS2ALDH1A1AKR1C3
SCHEMBL5261678 0.84 ADORA2A (0.39) AKR1C1AKR1C2PTGS2ALDH1A1ADORA2A
SCHEMBL5261682 0.84 ADORA2A (0.39) AKR1C1AKR1C2PTGS2ALDH1A1ADORA2A
SCHEMBL5260735 0.83 ADORA2A (0.42) MAPTAKR1C1ALDH1A1ADORA2ALMNA
SCHEMBL5259880 0.83 ADORA2A (0.42) MAPTAKR1C1ALDH1A1ADORA2ALMNA
SCHEMBL5257677 0.82 NPC1 (0.47) PTGS2KMT2APOLB

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 MAPT 4795/4885AKR1C1 915/4885AKR1C2 930/4885

“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.