SCHEMBL2869945

SCHEMBL2869945

O=C(Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.67
KMT2A Q03164 5/20 0.57
MAPT P10636 4/20 0.57
RAB9A P51151 4/20 0.57
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 3/20 0.57
NPC1 O15118 3/20 0.57
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ESR1 P03372 1/20 0.57
APAF1 O14727 2/20 0.52
POLB P06746 1/20 0.52
PPARG P37231 1/20 0.52
RECQL P46063 1/20 0.52
SMAD3 P84022 1/20 0.52
PTK2B Q14289 1/20 0.52
ESR2 Q92731 1/20 0.52
NR2E3 Q9Y5X4 1/20 0.52
NCOR2 Q9Y618 1/20 0.52

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
SCHEMBL5377702 0.85 TTK (0.66) TTKKMT2AMAPTRAB9AKDM4E
SCHEMBL2861016 0.81 ITK (0.68) TTKKMT2AKDM4EITKMAPKAPK2
SCHEMBL2570870 0.80 TTK (1.00) TTK
SCHEMBL2569096 0.79 TTK (0.60) TTKKMT2AMAPTRAB9AKDM4E
SCHEMBL13820430 0.79 ITK (0.48) TTKITKMAPKAPK2AURKA
SCHEMBL2870858 0.78 ITK (0.57) KMT2ARAB9AMEN1NPC1ITK
SCHEMBL4338572 0.78 STK33 (0.47) TTKKMT2AMAPTRAB9AKDM4E
SCHEMBL5381114 0.78 TTK (0.67) TTKKMT2AMAPTRAB9AKDM4E
SCHEMBL2871320 0.78 PDPK1 (0.66) ITKMAPKAPK2
SCHEMBL12245667 0.78 RAB9A (0.58) KMT2AMAPTRAB9AKDM4EALDH1A1

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 12 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
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-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

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 1201/4885KMT2A 2212/4885MAPT 2644/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 TTK 1066/4885KMT2A 2834/4885MAPT 2892/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TTK 1201/4885KMT2A 2212/4885MAPT 2644/4885

“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.