SCHEMBL14172604

SCHEMBL14172604

COc1ccc2c(c1)CCCc1nc(NC(=O)c3c(F)cccc3F)cnc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.45
▸ CYP1A2 P05177 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ MAPT P10636 12/20 0.43
▸ TP53 P04637 3/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ IL2 P60568 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HTT P42858 1/20 0.39

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
SCHEMBL14222427 0.88 MEN1 (0.43) RAB9ACYP1A2NPC1TP53KMT2A
SCHEMBL15871408 0.81 RAB9A (0.44) RAB9ACYP1A2NPC1MAPTTP53
SCHEMBL14172605 0.80 RAB9A (0.46) RAB9ACYP1A2NPC1MAPTTP53
SCHEMBL12848757 0.80 MEN1 (0.43) RAB9ACYP1A2NPC1MAPTTP53
SCHEMBL14172606 0.80 RAB9A (0.43) RAB9ACYP1A2NPC1MAPTTP53
SCHEMBL12796652 0.79 MAPT (0.66) RAB9ACYP1A2NPC1MAPTTP53
SCHEMBL14172601 0.77 RAB9A (0.46) RAB9ACYP1A2NPC1MAPTALDH1A1
SCHEMBL12848953 0.76 ADORA2B (0.44) CYP1A2KMT2AALDH1A1LMNAMEN1
SCHEMBL12796909 0.75 GPR142 (0.37) RAB9ACYP1A2NPC1KMT2AALDH1A1
SCHEMBL12797006 0.74 NPC1 (0.38) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2

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-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-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 (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-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NOD2, RORC, NLRP3 RAB9A 1338/4885CYP1A2 510/4885NPC1 301/4885

“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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