SCHEMBL17618330

SCHEMBL17618330

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)c2)C2CCN3CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 5/20 0.45
▸ CREBBP Q92793 3/20 0.45
▸ BRD4 O60885 2/20 0.45
▸ BRAF P15056 1/20 0.44
▸ IMPDH1 P20839 1/20 0.40
▸ RHOA P61586 2/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ USP2 O75604 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LIMK2 P53671 1/20 0.38
▸ CASR P41180 1/20 0.38

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
SCHEMBL16775764 0.95 IMPDH2 (0.44) IMPDH2CREBBPBRD4BRAFIMPDH1
SCHEMBL16775784 0.95 IMPDH2 (0.44) IMPDH2CREBBPBRD4BRAFIMPDH1
SCHEMBL16775779 0.94 CREBBP (0.43) IMPDH2CREBBPBRD4BRAFIMPDH1
SCHEMBL17624410 0.91 CREBBP (0.43) CREBBPBRD4BRAFRHOACNR1
SCHEMBL16776225 0.91 CREBBP (0.43) CREBBPBRD4BRAFRHOACNR1
SCHEMBL19699090 0.90 DYRK1A (0.42) IMPDH2CREBBPBRD4BRAF
SCHEMBL16775763 0.89 CREBBP (0.44) IMPDH2CREBBPBRD4BRAFRHOA
SCHEMBL16249975 0.88 RHOA (0.48) CREBBPBRD4BRAFRHOANPC1
SCHEMBL16775780 0.88 IMPDH2 (0.37) IMPDH2CREBBPBRD4BRAFIMPDH1
SCHEMBL17618770 0.88 CREBBP (0.42) IMPDH2CREBBPBRD4BRAFRHOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IMPDH2 1350/4885CREBBP 419/4885BRD4 194/4885

“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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