SCHEMBL4334282

SCHEMBL4334282

C[C@H](NC(=O)c1cc(F)c2[nH]nc(-c3ccc4ccccc4c3)c2c1)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
HPGDS O60760 2/20 0.39
APOL1 O14791 2/20 0.37
MAPK1 P28482 4/20 0.36
MAPK3 P27361 3/20 0.36
ALPL P05186 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
PTGER3 P43115 1/20 0.35
DHODH Q02127 1/20 0.35
PIN1 Q13526 1/20 0.35
LIMK1 P53667 1/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
KDR P35968 1/20 0.35
CSNK1D P48730 1/20 0.35
GSK3A P49840 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
SCHEMBL4334510 0.86 MAPK1 (0.39) SCN9AMAPK1MAPK3LIMK1CSNK1D
SCHEMBL4343384 0.85 MAPK1 (0.39) MAPK1MAPK3ALPLPIN1
SCHEMBL4343383 0.84 MAPK1 (0.41) SCN9AMAPK1MAPK3ALPLPIN1
SCHEMBL4327408 0.83 HDAC4 (0.42) MAPK1MAPK3ALPLAKR1C3AKR1C2
SCHEMBL4333011 0.81 MAPK1 (0.51) MAPK1MAPK3CDK2GSK3AGSK3B
SCHEMBL2861275 0.80 CA12 (0.50) MAPK1ALPLAKR1C3AKR1C2DHODH
SCHEMBL4335969 0.79 MAPK1 (0.37) MAPK1MAPK3ALPLPIN1
SCHEMBL2870995 0.79 MCHR1 (0.47) KDR
SCHEMBL4334329 0.78 NPC1 (0.41) MAPK1MAPK3ALPLDHODHCSNK1D
SCHEMBL6425955 0.77 TP53 (0.39) SCN9AHPGDSALPLPTGER3LIMK1

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 2241/4885HPGDS 3040/4885APOL1 4696/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 SCN9A 2241/4885HPGDS 3040/4885APOL1 4696/4885

“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.