SCHEMBL19670152

SCHEMBL19670152

CN1CCCN(C(=O)Nc2cc(C#CCN)cc(-c3cnco3)c2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.36
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ HTR2C P28335 6/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ HTR2A P28223 5/20 0.33
▸ BRAF P15056 1/20 0.32
▸ HTR2B P41595 3/20 0.32
▸ FYN P06241 1/20 0.32
▸ CREBBP Q92793 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31
▸ P2RX1 P51575 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ ALK Q9UM73 1/20 0.31
▸ ROCK2 O75116 1/20 0.31

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
SCHEMBL19365224 0.93 RHOA (0.35) RHOACA2CA9HTR2CRIPK1
SCHEMBL19670151 0.90 RHOA (0.35) RHOACA2CA9HTR2CBRAF
SCHEMBL20632034 0.90 RHOA (0.41) RHOACA2CA9HTR2CHTR2A
SCHEMBL19865020 0.83 RHOA (0.34) RHOACA2CA9HTR2CBRAF
SCHEMBL17618881 0.83 RHOA (0.40) RHOACA2CA9
SCHEMBL16238473 0.82 RHOA (0.38) RHOACA2CA9
SCHEMBL19705997 0.82 RHOA (0.34) RHOACA2CA9HTR2CBRAF
SCHEMBL20632880 0.81 DYRK1A (0.39) RHOACA2CA9BRAFCREBBP
SCHEMBL20632116 0.79 RHOA (0.43) RHOABRAFFYNCREBBPROCK2
SCHEMBL19865057 0.79 RHOA (0.41) RHOACA2CA9HTR2CBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4858/4885CA2 4636/4885CA9 4430/4885

“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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