SCHEMBL17618599

SCHEMBL17618599

O=C(Nc1ccccc1)N1c2nc(-c3ccnc(F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KIT P10721 1/20 0.34
▸ ELOVL1 Q9BW60 1/20 0.34
▸ SMO Q99835 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL17618560 0.85 WNT3A (0.40) KCNH2HRH3WNT3AMAPT
SCHEMBL17618348 0.83 IDH2 (0.45) TRPV1ALDH1A1MAPTLMNA
SCHEMBL19699066 0.83 ROCK2 (0.37) CYP3A4WNT3A
SCHEMBL19361172 0.82 FAAH (0.39) KCNH2CYP2C9CSNK1DCSNK1EKIT
SCHEMBL16754671 0.82 HRH3 (0.38) HRH3WNT3AKDM4EALDH1A1HSD17B10
SCHEMBL19689778 0.81 HTR2C (0.41) CYP1A2WNT3AALDH1A1MAPT
SCHEMBL17618706 0.81 HTR2C (0.41) CYP1A2WNT3AALDH1A1MAPT
SCHEMBL19361183 0.81 KARS1 (0.35) CSNK1DCSNK1E
SCHEMBL19699060 0.80 ABL1 (0.38) KCNH2CYP1A2CYP2C9CYP2C19MALT1
SCHEMBL17618520 0.80 USP30 (0.37) WNT3AMAPK1

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-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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR1 3355/4885KCNH2 4187/4885HRH3 2667/4885

“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.

Send feedback