SCHEMBL2861604

SCHEMBL2861604

O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.67
ROCK2 O75116 4/20 0.59
ROCK1 Q13464 4/20 0.59
ITK Q08881 3/20 0.52
PDPK1 O15530 2/20 0.49
CCR2 P41597 1/20 0.48
MAPKAPK2 P49137 1/20 0.47
ACKR3 P25106 1/20 0.46
CTNNB1 P35222 3/20 0.46
TCF7L2 Q9NQB0 3/20 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
SCHEMBL2861747 0.86 MAPK10 (0.78) MAPK10ITKPDPK1MAPKAPK2
SCHEMBL2862759 0.84 MAPK10 (0.76) MAPK10ITKPDPK1MAPKAPK2
SCHEMBL2862761 0.84 MAPK10 (0.76) MAPK10ITKPDPK1MAPKAPK2
SCHEMBL2560944 0.81 ROCK2 (0.67) ROCK2ROCK1CCR2ACKR3CTNNB1
SCHEMBL2862649 0.80 MAPK10 (1.00) MAPK10ITKPDPK1MAPKAPK2
SCHEMBL15022646 0.79 ROCK2 (0.68) ROCK2ROCK1CCR2
SCHEMBL15021912 0.79 ROCK2 (0.68) ROCK2ROCK1CCR2
SCHEMBL2866839 0.78 ROCK2 (0.55) ROCK2ROCK1ITKPDPK1CCR2
SCHEMBL12282076 0.78 TTK (0.66) ROCK2ROCK1
Hydrochloric Acid SCHEMBL2568328 0.77 TTK (0.65) ROCK2ROCK1

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 13 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-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 MAPK10 29/4885ROCK2 805/4885ROCK1 504/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAPK10 27/4885ROCK2 1152/4885ROCK1 709/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK10 29/4885ROCK2 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.