SCHEMBL16776220

SCHEMBL16776220

Cc1ccnc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CCC2CC3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 11/20 0.48
▸ KMT2A Q03164 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CACNA1B Q00975 1/20 0.45
▸ APBA1 Q02410 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SYK P43405 3/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ KMO O15229 1/20 0.40

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
SCHEMBL19669055 0.91 KMO (0.41) PHGDHKMT2AKDM4EMEN1USP2
SCHEMBL16775953 0.89 TRPV1 (0.44) PHGDHKMT2AKDM4EMEN1LMNA
SCHEMBL16776205 0.88 TSHR (0.46) KMT2AKDM4EMEN1USP2LMNA
SCHEMBL17778806 0.88 MEN1 (0.43) PHGDHKMT2AKDM4EMEN1USP2
SCHEMBL16775963 0.87 FAAH (0.42) PHGDHABL1BCR
SCHEMBL16775962 0.87 CA2 (0.40) KMT2AKDM4EMEN1USP2LMNA
SCHEMBL16775973 0.86 MPL (0.44) KMT2AKDM4EMEN1USP2LMNA
SCHEMBL17624498 0.86 RHOA (0.40) KMO
SCHEMBL16238615 0.85 FAAH (0.41) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL17618351 0.85 PHGDH (0.45) PHGDHKMT2AMEN1TSHRMAPT

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PHGDH 1138/4885KMT2A 1438/4885RAB9A 1471/4885

“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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