SCHEMBL17618705

SCHEMBL17618705

Cc1nc(C)c(-c2ccc3c(n2)N(C(=O)Nc2cccnc2)[C@H]2CCN3C2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGLEC9 Q9Y336 1/20 0.43
▸ TRPV4 Q9HBA0 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTR2C P28335 10/20 0.39
▸ HTR2A P28223 9/20 0.39
▸ PI4KB Q9UBF8 1/20 0.38
▸ PIK3CG P48736 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL17618727 0.86 HTR2C (0.39) MAPTHTR2CHTR2API4KBALDH1A1
SCHEMBL16754622 0.85 HTR2C (0.40) MAPTHTR2CHTR2API4KBALDH1A1
SCHEMBL17618700 0.83 HTR2C (0.39) MAPTHTR2CHTR2API4KBALDH1A1
SCHEMBL17618699 0.83 NAMPT (0.46) MAPTKDM4EHTR2CHTR2API4KB
SCHEMBL17618698 0.83 HTR2C (0.39) MAPTKDM4ESMN1; SMN2HTR2CHTR2A
SCHEMBL19699039 0.82 HTR2C (0.46) MAPTHTR2CHTR2AALDH1A1
SCHEMBL17618703 0.82 HTR2C (0.39) MAPTHTR2CHTR2API4KBALDH1A1
SCHEMBL19361188 0.82 HTR2A (0.39) MAPTKDM4ESMN1; SMN2HTR2CHTR2A
SCHEMBL19689778 0.82 HTR2C (0.41) MAPTHTR2CHTR2API4KBALDH1A1
SCHEMBL17618706 0.82 HTR2C (0.41) MAPTHTR2CHTR2API4KBALDH1A1

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 9 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-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 SIGLEC9 3732/4885TRPV4 4461/4885MAPT 303/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SIGLEC9 4092/4885TRPV4 4133/4885MAPT 267/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SIGLEC9 4092/4885TRPV4 4133/4885MAPT 267/4885

“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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