SCHEMBL19689851

SCHEMBL19689851

Cc1cc(-c2cccc(C(F)(F)F)c2)nc2c1N1CC[C@@H](C1)N2C(=O)Nc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.40
▸ SCN9A Q15858 4/20 0.39
▸ SYK P43405 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ TRPV1 Q8NER1 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
SCHEMBL19706618 1.00 PHGDH (0.40) PHGDHSCN9ASYKMEN1KMT2A
SCHEMBL16237479 0.91 PHGDH (0.42) PHGDHSCN9ASYKMEN1KMT2A
SCHEMBL16238577 0.90 CYP1A2 (0.40) PHGDHSCN9ASYKMEN1KMT2A
SCHEMBL17618905 0.86 PHGDH (0.41) PHGDHSCN9AMEN1KMT2AKDM4E
SCHEMBL16238412 0.86 PHGDH (0.41) PHGDHSCN9AMEN1KMT2AKDM4E
SCHEMBL17767953 0.86 GSK3B (0.40) PHGDHSYKMEN1KMT2AKDM4E
SCHEMBL16776487 0.85 GSK3B (0.41) SYKPOLBCHRM4
SCHEMBL16775783 0.85 CYP1A2 (0.39) PHGDHSCN9ASYKMEN1KMT2A
SCHEMBL16775953 0.83 TRPV1 (0.44) PHGDHSCN9AMEN1KMT2AKDM4E
SCHEMBL17618904 0.82 KDM4E (0.42) PHGDHMEN1KMT2AKDM4EUSP2

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 PHGDH 1058/4885SCN9A 2898/4885SYK 2954/4885

“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