SCHEMBL12833976

SCHEMBL12833976

c1cc2nsnc2cc1-c1nc2cc3c[nH]nc3cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ MEN1 O00255 8/20 0.40
▸ KMT2A Q03164 8/20 0.40
▸ NPC1 O15118 7/20 0.40
▸ POLB P06746 6/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ GLA P06280 3/20 0.40
▸ USP2 O75604 3/20 0.40
▸ PKM P14618 3/20 0.40
▸ RECQL P46063 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ GMNN O75496 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
SCHEMBL14091512 0.73 NPC1 (0.47) MEN1KMT2ANPC1POLBSMN1; SMN2
SCHEMBL12833541 0.72 RAB9A (0.59) MEN1KMT2ANPC1POLBSMN1; SMN2
SCHEMBL12833966 0.71 HPSE (0.46) ALOX5MEN1KMT2ANPC1POLB
SCHEMBL14115882 0.70 HDAC3 (0.49) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL14091519 0.70 MMP2 (0.62) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL14091530 0.69 HPGD (0.43) MEN1KMT2ANPC1POLBSMN1; SMN2
SCHEMBL14091490 0.69 PRMT1 (0.42) MEN1KMT2ANPC1POLBSMN1; SMN2
SCHEMBL12833973 0.69 TNIK (0.44) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL12833539 0.69 TERT (0.41) ALOX5EPHX2MEN1KMT2ANPC1
SCHEMBL14091554 0.69 ALOX5 (0.46) ALOX5EPHX2MEN1KMT2APOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 — — EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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 (1 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 ALOX5 506/4885EPHX2 1998/4885MEN1 1879/4885

“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.

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