SCHEMBL2867812

SCHEMBL2867812

O=C(NCC(O)c1ccccc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.53
TTK P33981 5/20 0.52
MAPK3 P27361 5/20 0.52
CSNK1D P48730 2/20 0.50
AURKB Q96GD4 1/20 0.48
INCENP Q9NQS7 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46

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
SCHEMBL2862134 0.87 CSNK1D (0.54) MAPK1TTKMAPK3CSNK1D
SCHEMBL2870086 0.86 KDM4E (0.54) MAPK1TTKMAPK3CSNK1DROCK2
SCHEMBL2861653 0.82 MAPK1 (0.74) MAPK1TTKMAPK3CSNK1DAURKB
SCHEMBL2862933 0.79 MAPK1 (0.56) MAPK1TTKMAPK3CSNK1DAURKB
SCHEMBL27536329 0.79 MAPK1 (0.56) MAPK1TTKMAPK3CSNK1DAURKB
SCHEMBL2858476 0.78 MAP2K4 (0.68) MAPK1TTKMAPK3
SCHEMBL2868599 0.78 MAP2K4 (0.57) MAPK1TTKMAPK3CSNK1DAURKB
SCHEMBL28745171 0.77 MAPK1 (0.50) MAPK1TTKMAPK3CSNK1D
SCHEMBL2867928 0.77 HPGD (0.62) MAPK1TTKMAPK3CSNK1DNPC1
SCHEMBL2872493 0.77 MAPK1 (0.57) MAPK1TTKMAPK3CSNK1D

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 15 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
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
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-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
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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 (3 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 MAPK1 1/4885TTK 1201/4885MAPK3 2/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAPK1 1/4885TTK 1066/4885MAPK3 3/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK1 1/4885TTK 1201/4885MAPK3 2/4885

“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.