SCHEMBL4335929

SCHEMBL4335929

O=C(Cc1cccnc1)Nc1cc2c(-c3cccc(F)c3)n[nH]c2cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.46
CLK2 P49760 3/20 0.46
CLK3 P49761 3/20 0.46
ROCK2 O75116 2/20 0.46
PARP14 Q460N5 1/20 0.46
PSMB8 P28062 1/20 0.46
MAP2K4 P45985 3/20 0.44
MAP2K7 O14733 1/20 0.44
WNT1 P04628 2/20 0.44
MAPK1 P28482 2/20 0.44
TTK P33981 2/20 0.43
LMNA P02545 1/20 0.42
NTRK1 P04629 1/20 0.41

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
SCHEMBL4335912 0.88 CDK9 (0.49) DYRK1ACLK2CLK3ROCK2PARP14
SCHEMBL4340567 0.87 DYRK1A (0.45) DYRK1ACLK2CLK3ROCK2PARP14
SCHEMBL4328003 0.83 CLK2 (0.44) DYRK1ACLK2CLK3ROCK2PARP14
SCHEMBL4335949 0.81 CDK9 (0.44) DYRK1ACLK2CLK3ROCK2PARP14
SCHEMBL4137009 0.80 AURKA (0.58) PARP14PSMB8MAPK1
SCHEMBL4137016 0.80 AURKA (0.58) PARP14PSMB8MAPK1
SCHEMBL4332113 0.79 KDM4E (0.52) DYRK1AMAP2K4MAP2K7WNT1MAPK1
SCHEMBL2865039 0.78 GSK3A (0.44) DYRK1ACLK2CLK3MAP2K4WNT1
SCHEMBL4333014 0.76 GSK3B (0.65) CLK2MAP2K4WNT1
SCHEMBL2867437 0.75 CSNK1D (0.47) DYRK1AMAP2K4MAP2K7WNT1MAPK1

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
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
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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 (2 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 DYRK1A 1216/4885CLK2 334/4885CLK3 223/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 DYRK1A 1216/4885CLK2 334/4885CLK3 223/4885

“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.