SCHEMBL16776397

SCHEMBL16776397

C[C@@H]1CNc2ccc(-c3cncc(C(C)(C)F)c3)nc2N(C(=O)Nc2cccnc2)[C@@H]1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 2/20 0.40
▸ RPS6KA2 Q15349 2/20 0.40
▸ HTR2C P28335 10/20 0.37
▸ HTR2A P28223 9/20 0.37
▸ CACNA1G O43497 3/20 0.36
▸ CACNA1H O95180 3/20 0.36
▸ CACNA1I Q9P0X4 3/20 0.36
▸ HTR2B P41595 4/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AR P10275 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL16785562 0.93 RPS6KA3 (0.38) RPS6KA3RPS6KA2HTR2CHTR2ACACNA1G
SCHEMBL16776383 0.90 DYRK1A (0.35) HTR2CHTR2ACACNA1GCACNA1HCACNA1I
SCHEMBL16776384 0.90 PRMT5 (0.39) AR
SCHEMBL16776399 0.86 CREBBP (0.42) HTR2CHTR2AHTR2BMEN1MAPT
SCHEMBL16776393 0.85 AR (0.34) AR
SCHEMBL16776394 0.82 FAAH (0.34) RPS6KA3RPS6KA2HTR2CHTR2AHTR2B
SCHEMBL16776395 0.81 TRPA1 (0.33) —
SCHEMBL16776388 0.81 NPC1 (0.38) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL16776387 0.81 PTGS1 (0.35) TRPV1MEN1KMT2AAR
SCHEMBL16776389 0.78 PIK3CA (0.33) MEN1KMT2A

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 RPS6KA3 2368/4885RPS6KA2 2318/4885HTR2C 4651/4885

“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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