SCHEMBL19689778

SCHEMBL19689778

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cccnc2)[C@@H]2CCN3C2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 13/20 0.41
▸ HTR2A P28223 11/20 0.41
▸ WNT3A P56704 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL17618706 1.00 HTR2C (0.41) HTR2CHTR2AWNT3ACYP1A2HTR2B
SCHEMBL16776482 0.95 ALDH1A1 (0.42) HTR2CHTR2AWNT3ACYP1A2HTR2B
SCHEMBL16754297 0.92 WNT3A (0.43) WNT3A
SCHEMBL17768108 0.92 WNT3A (0.43) WNT3A
SCHEMBL16754500 0.92 IRAK4 (0.37) WNT3A
SCHEMBL17770596 0.90 PRMT5 (0.38) WNT3AALDH1A1MAPT
SCHEMBL16754293 0.90 PRMT5 (0.38) WNT3AALDH1A1MAPT
SCHEMBL16754671 0.90 HRH3 (0.38) WNT3AALDH1A1
SCHEMBL16754375 0.89 HTR2C (0.41) HTR2CHTR2API4KBALDH1A1MAPT
SCHEMBL16754574 0.89 WNT3A (0.41) WNT3A

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4743/4885HTR2A 4656/4885WNT3A 4482/4885

“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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