SCHEMBL19699499

SCHEMBL19699499

CCc1cnc(NC(=O)C(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 7/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
TP53 P04637 3/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CDK5 Q00535 1/20 0.41
LMNA P02545 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 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
SCHEMBL16754429 0.82 HCAR3 (0.39) SMN1; SMN2RAB9ANPC1HCAR3MAPT
SCHEMBL19706562 0.81 PTK2 (0.47) L3MBTL1CCNE1CDK2LMNAKDM4E
SCHEMBL19728683 0.78 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL19728692 0.78 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL26506968 0.78 ERCC1 (0.41) SMN1; SMN2ALDH1A1MAPK1TSHRCCNE1
SCHEMBL19699501 0.78 MAPK8 (0.45) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL26764538 0.77 NOTUM (0.46) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL24671110 0.75 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL25692333 0.75 L3MBTL1 (0.44) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL19699481 0.75 PRKD3 (0.40) SMN1; SMN2ALDH1A1RAB9ANPC1TP53

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 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 (2 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 SMN1; SMN2 2016/4885ALDH1A1 993/4885RAB9A 1168/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 1917/4885ALDH1A1 1067/4885RAB9A 1227/4885

“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.