SCHEMBL12079768

SCHEMBL12079768

Cc1cnccc1C(=O)Nc1ccc(-c2cccc(-c3cccnc3)c2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.50
▸ RAB9A P51151 2/20 0.49
▸ CYP11B2 P19099 1/20 0.49
▸ CYP2C9 P11712 2/20 0.48
▸ BLK P51451 1/20 0.48
▸ BTK Q06187 1/20 0.48
▸ BRAF P15056 3/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ WNT1 P04628 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL4767825 0.83 ABL1 (0.53) SLC2A1RAB9ACYP11B2CYP2C9BLK
SCHEMBL5029502 0.77 CYP11B2 (0.46) RAB9ACYP11B2CYP2C9NPC1IRAK4
SCHEMBL12079769 0.76 LRRK2 (0.46) CYP11B2BRAFWNT1DYRK1AMAPT
SCHEMBL14172610 0.73 CYP2C9 (0.43) RAB9ACYP11B2CYP2C9NPC1MAPT
SCHEMBL12848904 0.72 CREBBP (0.42) SLC2A1RAB9ACYP11B2CYP2C9BLK
SCHEMBL13322124 0.72 TYK2 (0.67) RAB9ACYP11B2NPC1MEN1KMT2A
SCHEMBL1825456 0.71 KMT2A (0.48) RAB9ACYP11B2BRAFNPC1MAPT
SCHEMBL14360826 0.70 TYK2 (0.46) RAB9ANPC1MAPTCYP3A4
SCHEMBL27811101 0.70 CNR1 (0.66) RAB9ACNR1NPC1IRAK4MKNK1
SCHEMBL21742561 0.69 NPY5R (0.54) SLC2A1RAB9ACYP11B2CYP2C9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 — — US disclosed
US-8592486-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-11-26 — — US disclosed
US-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-09-06 — — 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 (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-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 SLC2A1 1455/4885RAB9A 965/4885CYP11B2 536/4885
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 SLC2A1 1455/4885RAB9A 965/4885CYP11B2 536/4885

“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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