SCHEMBL4339304

SCHEMBL4339304

C[C@H](NC(=O)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
MAPK1 P28482 7/20 0.39
DYRK1A Q13627 2/20 0.37
MAPKAPK2 P49137 1/20 0.37
KDR P35968 4/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
CCND3 P30281 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
ALPL P05186 1/20 0.35
WNT1 P04628 1/20 0.35
PTGER3 P43115 1/20 0.35
TTK P33981 1/20 0.34
MAP2K4 P45985 1/20 0.34

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
SCHEMBL4329101 0.87 CDK4 (0.41) SCN9AMAPK1DYRK1AMAPKAPK2KDR
SCHEMBL4338787 0.86 MAP2K4 (0.40) SCN9AMAPK1DYRK1AKDRJAK2
SCHEMBL4341086 0.85 MAPK1 (0.41) MAPK1DYRK1AKDRCDK4CCNA2
SCHEMBL4341132 0.82 ALDH1A1 (0.41) JAK2JAK3
SCHEMBL13198255 0.82 SIRT2 (0.40) MAPKAPK2JAK2JAK3
SCHEMBL2867525 0.81 ALPL (0.50) MAPK1MAPKAPK2KDRCDK4CCNA2
SCHEMBL2857443 0.80 CA12 (0.46) MAPK1MAPKAPK2KDRCDK4CCNA2
SCHEMBL4327031 0.80 MTNR1A (0.41) MAPK1DYRK1AKDRCDK4CCNA2
SCHEMBL2861587 0.79 KDR (0.49) DYRK1AKDRWNT1
SCHEMBL4341430 0.78 CDK4 (0.51) MAPK1MAPKAPK2KDRCDK4CCNA2

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 SCN9A 2241/4885MAPK1 1/4885DYRK1A 1216/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 SCN9A 2241/4885MAPK1 1/4885DYRK1A 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.