SCHEMBL17618841

SCHEMBL17618841

Cc1nc(NC(=O)N2c3nc(-c4cncc(C(F)(F)F)c4)ccc3N3C[C@@H](O)[C@H]2C3)sc1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.35
▸ CRHR1 P34998 1/20 0.34
▸ ABL1 P00519 8/20 0.34
▸ TRPV3 Q8NET8 1/20 0.33
▸ WDR5 P61964 2/20 0.32
▸ CTPS1 P17812 1/20 0.32
▸ DYRK1A Q13627 1/20 0.31
▸ SLC27A1 Q6PCB7 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
SCHEMBL16238271 0.90 KDM1A (0.38) CRHR1TRPV3DYRK1A
SCHEMBL17618834 0.85 SCN10A (0.41) CRHR1ABL1TRPV3WDR5
SCHEMBL17618650 0.85 ABL1 (0.35) PIK3CDCRHR1ABL1
SCHEMBL19699103 0.84 MAPT (0.42) ABL1TRPV3
SCHEMBL19706029 0.83 ALDH1A1 (0.37) CRHR1
SCHEMBL17618836 0.83 ABL1 (0.38) CRHR1ABL1TRPV3
SCHEMBL16775808 0.82 KDM1A (0.38) CRHR1TRPV3
SCHEMBL17618846 0.82 HTR2C (0.44) ABL1
SCHEMBL17618840 0.82 ALOX15 (0.37) ABL1TRPV3CTPS1DYRK1A
SCHEMBL17618842 0.81 ABL1 (0.35) ABL1TRPV3CTPS1DYRK1A

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 8 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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
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 (3 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 PIK3CD 3933/4885CRHR1 4125/4885ABL1 3987/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIK3CD 3327/4885CRHR1 3969/4885ABL1 4089/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIK3CD 3327/4885CRHR1 3969/4885ABL1 4089/4885

“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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