SCHEMBL4328003

SCHEMBL4328003

O=C(Cc1cccnc1)Nc1ccc2[nH]nc(-c3cccc(F)c3)c2c1Br

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 5/20 0.44
CLK3 P49761 5/20 0.44
DYRK1A Q13627 5/20 0.44
PSMB8 P28062 2/20 0.43
PARP14 Q460N5 1/20 0.41
ROCK2 O75116 1/20 0.41
TTK P33981 2/20 0.41
IDO1 P14902 2/20 0.41
LMNA P02545 1/20 0.40
NTRK1 P04629 1/20 0.39
WNT3A P56704 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
WNT1 P04628 1/20 0.39
MAPK1 P28482 1/20 0.38
MAP2K7 O14733 1/20 0.38
MAP2K4 P45985 1/20 0.38

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
SCHEMBL4335949 0.87 CDK9 (0.44) CLK2CLK3DYRK1APSMB8PARP14
SCHEMBL4335929 0.83 DYRK1A (0.46) CLK2CLK3DYRK1APSMB8PARP14
SCHEMBL4335912 0.80 CDK9 (0.49) CLK2CLK3DYRK1APSMB8PARP14
SCHEMBL4333049 0.76 GSK3B (0.56) CLK2DYRK1AWNT1
SCHEMBL2870906 0.71 TTK (0.72) CLK2CLK3DYRK1AROCK2TTK
SCHEMBL4338790 0.71 RECQL (0.48) ROCK2LMNANTRK1
SCHEMBL4340567 0.71 DYRK1A (0.45) CLK2CLK3DYRK1APSMB8PARP14
SCHEMBL2860793 0.69 GSK3A (0.41) CLK2CLK3DYRK1ANTRK1CDK2
SCHEMBL4332113 0.69 KDM4E (0.52) DYRK1ALMNAWNT1MAPK1MAP2K7
SCHEMBL2857597 0.68 MAP2K4 (0.41) CLK2CLK3DYRK1ATTKNTRK1

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
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 CLK2 334/4885CLK3 223/4885DYRK1A 1216/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CLK2 334/4885CLK3 223/4885DYRK1A 1216/4885

“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.