SCHEMBL19364807

SCHEMBL19364807

Nc1ccc(-c2cncc(C(F)(F)F)c2)nc1N(C(=O)Nc1ccncn1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.35
▸ CHRNA7 P36544 2/20 0.35
▸ MPL P40238 2/20 0.34
▸ CTPS1 P17812 4/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ EGFR P00533 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ TRPV3 Q8NET8 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
SCHEMBL19365471 0.91 ATR (0.36) ATRCHRNA7CTPS1HDAC1HDAC2
SCHEMBL19365461 0.89 HDAC1 (0.39) CHRNA7CTPS1HDAC1HDAC2DYRK1A
SCHEMBL19670421 0.89 MPL (0.44) ATRMPLKDRPOLBRAB9A
SCHEMBL19669761 0.88 PRMT5 (0.36) ATRHDAC1HDAC2IGF1RHDAC3
SCHEMBL19365791 0.87 FGFR4 (0.34) CHRNA7HDAC1DYRK1AKDR
SCHEMBL19365606 0.86 ATR (0.48) ATRHDAC1HDAC2IGF1RHDAC3
SCHEMBL19670520 0.86 CPT1A (0.37) ATRCTPS1HDAC1HDAC2IGF1R
SCHEMBL19365451 0.86 GABRA1 (0.36) CHRNA7CTPS1HDAC1HDAC2HDAC3
SCHEMBL19365798 0.85 PIK3C3 (0.38) ATRHDAC1HDAC2IGF1RHDAC3
SCHEMBL19365478 0.84 HDAC3 (0.40) HDAC1HDAC2HDAC3EGFRFGFR1

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ATR 1867/4885CHRNA7 4255/4885MPL 3547/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ATR 1867/4885CHRNA7 4255/4885MPL 3547/4885

“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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