SCHEMBL4335922

SCHEMBL4335922

O=C(NCCc1cccs1)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK10 P53779 1/20 0.39
PSMD14 O00487 1/20 0.38
STAMBP O95630 1/20 0.38
COPS5 Q92905 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MAPK1 P28482 2/20 0.36
NAMPT P43490 1/20 0.36
BRD4 O60885 1/20 0.36
CD274 Q9NZQ7 1/20 0.35
HPGD P15428 1/20 0.35
STAT6 P42226 1/20 0.35

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
SCHEMBL4339889 0.88 BRD4 (0.46) CYP1A2ROCK2ROCK1TAAR1NPC1
SCHEMBL4332488 0.87 MAPK10 (0.39) RAB9AMAPK10MAPK1NAMPTCD274
SCHEMBL4329359 0.84 ROCK2 (0.45) CYP1A2ROCK2ROCK1TAAR1NPC1
SCHEMBL4341026 0.83 TSHR (0.41) CYP1A2ROCK2ROCK1TAAR1NPC1
SCHEMBL2865232 0.82 MAPK1 (0.53) CYP1A2ROCK2TAAR1NPC1RAB9A
SCHEMBL4346817 0.81 TAAR1 (0.49) ROCK2ROCK1TAAR1NPC1RAB9A
SCHEMBL4343390 0.80 HPGD (0.45) CYP1A2NPC1RAB9ASMN1; SMN2PSMD14
SCHEMBL4334979 0.80 MAPT (0.44) CYP1A2NPC1RAB9ASMN1; SMN2MAPK10
SCHEMBL2857326 0.79 PIP5K1C (0.48) NPC1RAB9ASMN1; SMN2MAPK10KDM4E
SCHEMBL2862233 0.79 MEN1 (0.45) ROCK1NPC1RAB9ASMN1; SMN2MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CYP1A2 379/4885ROCK2 805/4885ROCK1 504/4885

“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.