SCHEMBL2870047

SCHEMBL2870047

O=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
AURKA O14965 4/20 0.43
AURKB Q96GD4 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TTK P33981 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA13 Q8N1Q1 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 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
SCHEMBL2861507 0.84 TTK (0.47) MEN1KMT2AAURKAAURKBALDH1A1
SCHEMBL2862233 0.82 MEN1 (0.45) MEN1KMT2AAURKAAURKBALDH1A1
SCHEMBL13198297 0.82 TOP2A (0.49) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL13635944 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL4341026 0.79 TSHR (0.41) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL4341422 0.79 KDM4E (0.45) KMT2ACYP1A2CYP2C19KDM4ESMN1; SMN2
SCHEMBL4334435 0.78 KMT2A (0.47) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL4332111 0.74 SMN1; SMN2 (0.46) MEN1KMT2ACYP1A2CYP2C19KDM4E
SCHEMBL2872600 0.74 KDM4E (0.45) MEN1KMT2AALDH1A1CA1CA5A
SCHEMBL4341426 0.72 GAA (0.50) MEN1KMT2AALDH1A1HPGDCYP1A2

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-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 MEN1 3782/4885KMT2A 2212/4885AURKA 502/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MEN1 4417/4885KMT2A 2834/4885AURKA 779/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MEN1 3782/4885KMT2A 2212/4885AURKA 502/4885

“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.