SCHEMBL17618630

SCHEMBL17618630

O=C(Nc1cccnc1)N1c2nc(-c3cccc(Cl)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ HTR2A P28223 7/20 0.44
▸ HTR2C P28335 7/20 0.44
▸ MAPT P10636 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ GRM5 P41594 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ BTK Q06187 1/20 0.40
▸ ALPL P05186 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL17618428 0.95 TSHR (0.46) TSHRHTR2AHTR2CMAPTTP53
SCHEMBL19706085 0.92 HTR2A (0.42) HTR2AHTR2CMAPTLMNAALDH1A1
SCHEMBL17618673 0.92 PIM3 (0.47) HTR2AHTR2CMAPTPOLBLMNA
SCHEMBL17618635 0.91 CNR1 (0.42) MAPTTP53CNR1LMNAGRM5
SCHEMBL19699052 0.90 HTR2A (0.44) TSHRHTR2AHTR2CMAPTCNR1
SCHEMBL19699063 0.90 HTR2A (0.44) TSHRHTR2AHTR2CMAPTCNR1
SCHEMBL16238463 0.90 TSHR (0.47) TSHRHTR2AHTR2CMAPTTP53
SCHEMBL17624590 0.88 HTR2C (0.47) TSHRHTR2AHTR2CMAPTLMNA
SCHEMBL19365515 0.88 HTR2C (0.47) TSHRHTR2AHTR2CMAPTLMNA
SCHEMBL16238326 0.88 CACNA1G (0.40) HTR2AHTR2CMAPTCNR1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 TSHR 2703/4885HTR2A 4359/4885HTR2C 4649/4885

“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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