SCHEMBL2864448

SCHEMBL2864448

O=C(Cc1ccsc1)NCc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.47
ROCK2 O75116 3/20 0.45
TTK P33981 3/20 0.44
MAPK3 P27361 4/20 0.43
TDP1 Q9NUW8 1/20 0.41
WNT1 P04628 1/20 0.40
CSNK1D P48730 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
NAMPT P43490 1/20 0.39
ROCK1 Q13464 3/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2868594 0.79 MAPK1 (0.49) MAPK1ROCK2TTKMAPK3CSNK1D
SCHEMBL2864321 0.74 POLB (0.46) ROCK2TTKTDP1WNT1ROCK1
SCHEMBL13742858 0.71 CYP1A2 (0.51) MAPK1TTKCSNK1DMAPKAPK2
SCHEMBL2870967 0.70 TTK (0.47) TTKTDP1WNT1
SCHEMBL5379411 0.69 TTK (0.52) TTKTDP1WNT1
SCHEMBL9558612 0.69 TDP1 (0.63) TDP1THRBHPGD
SCHEMBL20217639 0.69 MAPK1 (0.61) MAPK1TTKMAPK3CSNK1D
SCHEMBL6545436 0.69 TTK (0.49) TTKMAPKAPK2
SCHEMBL16310072 0.69 RAB9A (0.59) MAPK1TTKTDP1WNT1MAPKAPK2
SCHEMBL2571823 0.68 TTK (0.78) TTK

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 10 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
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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
CN-1300116-C 1H-indazole compounds EISAI CO LTD (JP) 2007-02-14 CN 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
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN 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 1/4885ROCK2 805/4885TTK 1201/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAPK1 1/4885ROCK2 1152/4885TTK 1066/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK1 1/4885ROCK2 805/4885TTK 1201/4885

“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.