SCHEMBL14172610

SCHEMBL14172610

Cc1cnccc1C(=O)Nc1ccc2c(c1)CCCc1cnc(-c3cccnc3)nc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.43
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ IKBKB O14920 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ ABL1 P00519 2/20 0.40
▸ PDGFRB P09619 2/20 0.40
▸ BCR P11274 2/20 0.40
▸ PDGFRA P16234 2/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 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
SCHEMBL14172608 0.83 NPC1 (0.48) RAB9ANPC1TP53SMN1; SMN2HTT
SCHEMBL12848904 0.77 CREBBP (0.42) CYP2C9RAB9ANPC1TP53SMN1; SMN2
SCHEMBL14172623 0.76 SMN1; SMN2 (0.50) RAB9ANPC1TP53SMN1; SMN2HTT
SCHEMBL14172846 0.76 CYP11B1 (0.47) CYP2C9RAB9ANPC1CYP11B2MAPT
SCHEMBL14172845 0.75 ACHE (0.51) CYP2C9RAB9ANPC1TP53SMN1; SMN2
SCHEMBL14172667 0.75 LMNA (0.44) CYP2C9HTTKMT2AKDM4EABL1
SCHEMBL14172825 0.74 CYP11B1 (0.43) CYP2C9HTTMEN1IKBKBKDM4E
SCHEMBL12079768 0.73 SLC2A1 (0.50) CYP2C9RAB9ANPC1MEN1KMT2A
SCHEMBL14172611 0.72 STIM1 (0.41) CYP2C9SMN1; SMN2MEN1KMT2AIKBKB
SCHEMBL14223162 0.72 ACHE (0.39) CYP2C9RAB9ANPC1TP53SMN1; 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 CYP2C9 154/4885RAB9A 1338/4885NPC1 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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