SCHEMBL12796180

SCHEMBL12796180

O=C(Nc1nc2c(s1)-c1ccc(-n3ccnc3)cc1CCC2)c1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TP53 P04637 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ADH5 P11766 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TMIGD3 P0DMS9 1/20 0.35

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
SCHEMBL12796748 0.84 NPC1 (0.45) SMN1; SMN2RAB9AMAPTKMT2ATP53
SCHEMBL14172586 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL14172538 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL14172595 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL14172531 0.80 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL14172575 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL12848563 0.78 ADH5 (0.36) ROCK2MAPTABL1ADH5
SCHEMBL14172587 0.78 IL2 (0.47) ALDH1A1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL14172764 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL12796210 0.77 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2RAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 — — US disclosed
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 — — US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 — — WO disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 — — US disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 — — US disclosed
WO-2008039520-A2 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-04-03 — — WO 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 (2 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-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NOD2, RORC, NLRP3 ROCK2 3314/4885ALDH1A1 2365/4885SMN1; SMN2 4866/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 ROCK2 1732/4885ALDH1A1 644/4885SMN1; SMN2 4820/4885

“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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