SCHEMBL16776024

SCHEMBL16776024

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)c2)CCCN3)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 5/20 0.46
▸ BRAF P15056 1/20 0.45
▸ CREBBP Q92793 3/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ LIMK2 P53671 1/20 0.40
▸ CNR1 P21554 2/20 0.39
▸ RPS6KA3 P51812 3/20 0.39
▸ IMPDH1 P20839 1/20 0.39
▸ RHOA P61586 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ RPS6KA2 Q15349 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CASR P41180 1/20 0.37

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
SCHEMBL16776210 0.92 BRAF (0.42) IMPDH2BRAFCREBBPBRD4LIMK2
SCHEMBL16776401 0.90 BRAF (0.42) IMPDH2BRAFCREBBPBRD4LIMK2
SCHEMBL16775995 0.90 BRAF (0.41) BRAFLIMK2CNR1RPS6KA3RPS6KA2
SCHEMBL16775875 0.89 RHOA (0.46) BRAFCREBBPBRD4LIMK2RHOA
SCHEMBL16776108 0.85 CREBBP (0.45) IMPDH2BRAFCREBBPBRD4LIMK2
SCHEMBL16776146 0.83 HTR2C (0.48) ALDH1A1
SCHEMBL16776424 0.82 DYRK1A (0.40) BRAF
SCHEMBL16776144 0.82 KMT2A (0.44) CREBBPCNR1CA9RPS6KA2ALDH1A1
SCHEMBL16776011 0.82 CA9 (0.38) CNR1RPS6KA3CA9RPS6KA2ALDH1A1
SCHEMBL16776298 0.80 RHOA (0.39) BRAFRHOACA9

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IMPDH2 1200/4885BRAF 3419/4885CREBBP 528/4885

“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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