SCHEMBL2863645

SCHEMBL2863645

O=C(Cc1cccs1)Nc1cc(F)c2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.56
POLB P06746 4/20 0.50
MEN1 O00255 9/20 0.49
KMT2A Q03164 9/20 0.49
RAB9A P51151 3/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 5/20 0.45
NPSR1 Q6W5P4 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RECQL P46063 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
SHMT2 P34897 1/20 0.44

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
SCHEMBL2864566 0.91 TTK (0.55) TTKPOLBMEN1KMT2ARAB9A
SCHEMBL2860243 0.87 TTK (0.50) TTKPOLBMEN1KMT2ARAB9A
SCHEMBL2861303 0.85 TTK (0.75) TTKPOLBMEN1KMT2ARAB9A
SCHEMBL2868575 0.84 POLB (0.45) TTKPOLBKMT2ARAB9ASMN1; SMN2
SCHEMBL2863255 0.79 TTK (0.47) TTKSMN1; SMN2MAPT
SCHEMBL4334573 0.79 TTK (0.55) TTKPOLBRAB9AMAPK1KDM4E
SCHEMBL4148920 0.76 TTK (0.53) TTKPOLBMEN1KMT2ARAB9A
SCHEMBL2868892 0.76 KMT2A (0.48) TTKPOLBMEN1KMT2ARAB9A
SCHEMBL2855841 0.75 TTK (0.52) TTKPOLBMEN1KMT2AKDM4E
SCHEMBL4334969 0.72 TTK (0.54) TTKPOLBMEN1KMT2ARAB9A

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 13 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-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
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-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-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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 (3 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 TTK 1201/4885POLB 4277/4885MEN1 3782/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 TTK 1066/4885POLB 4431/4885MEN1 4417/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TTK 1201/4885POLB 4277/4885MEN1 3782/4885

“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.