SCHEMBL2870079

SCHEMBL2870079

O=C(Cc1ccsc1)Nc1ccc2[nH]nc(-c3cn4ccccc4n3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 6/20 0.45
HPGD P15428 4/20 0.45
TTK P33981 4/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
ADRB2 P07550 1/20 0.45
TP53 P04637 1/20 0.44
AURKA O14965 1/20 0.43
ITK Q08881 1/20 0.41
WNT1 P04628 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL13635929 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTTKMAPT
SCHEMBL2870967 0.77 TTK (0.47) ALDH1A1KDM4ETTKKMT2ARAB9A
SCHEMBL2571823 0.74 TTK (0.78) TTKAURKA
SCHEMBL2871158 0.73 KDM4E (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2ITK
SCHEMBL16310072 0.73 RAB9A (0.59) TTKMAPTKMT2AMEN1RAB9A
SCHEMBL5379411 0.71 TTK (0.52) TTKRAB9ANPC1AURKAWNT1
SCHEMBL2864448 0.67 MAPK1 (0.47) HPGDTTKWNT1TDP1
SCHEMBL2867353 0.67 ITK (0.60) TTKAURKAITKWNT1
SCHEMBL6070986 0.66 RAB9A (0.46) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL2864321 0.66 POLB (0.46) TTKKMT2ARAB9ASMN1; SMN2NPC1

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 ALDH1A1 1588/4885KDM4E 2531/4885HPGD 1817/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 ALDH1A1 1744/4885KDM4E 2430/4885HPGD 1866/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ALDH1A1 1588/4885KDM4E 2531/4885HPGD 1817/4885

“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.