SCHEMBL4335949

SCHEMBL4335949

COc1c(NC(=O)Cc2cccnc2)ccc2[nH]nc(-c3cccc(F)c3)c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.44
CLK2 P49760 4/20 0.42
CLK3 P49761 4/20 0.42
DYRK1A Q13627 4/20 0.42
PSMB8 P28062 2/20 0.41
NTRK1 P04629 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
DGAT2 Q96PD7 1/20 0.40
HTT P42858 1/20 0.40
PARP14 Q460N5 1/20 0.40
ROCK2 O75116 1/20 0.40
TTK P33981 2/20 0.39
RORC P51449 1/20 0.39
IDO1 P14902 1/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 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
SCHEMBL4328003 0.87 CLK2 (0.44) CLK2CLK3DYRK1APSMB8NTRK1
SCHEMBL4335912 0.84 CDK9 (0.49) CDK9CLK2CLK3DYRK1APSMB8
SCHEMBL4338790 0.81 RECQL (0.48) NTRK1KDM4EALDH1A1HTTROCK2
SCHEMBL4335929 0.81 DYRK1A (0.46) CLK2CLK3DYRK1APSMB8NTRK1
SCHEMBL4327628 0.78 GSK3B (0.53) CLK2DYRK1ANTRK1
SCHEMBL2859116 0.74 MAP2K4 (0.48) NTRK1ALDH1A1TTK
SCHEMBL13198269 0.73 MEN1 (0.41) CDK9DYRK1ANTRK1TTK
SCHEMBL4329118 0.73 MEN1 (0.41) CDK9DYRK1ANTRK1TTK
SCHEMBL4335950 0.73 MEN1 (0.41) CDK9DYRK1ANTRK1TTK
SCHEMBL2864633 0.73 MAP2K4 (0.47) NTRK1TTKMAPK1

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 CDK9 303/4885CLK2 334/4885CLK3 223/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CDK9 303/4885CLK2 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.