SCHEMBL18355264

SCHEMBL18355264

Cc1cnc(NC(C)(C)C)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.44
FDPS P14324 1/20 0.44
RAB9A P51151 9/20 0.44
NPC1 O15118 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NOS1 P29475 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 3/20 0.40
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 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
SCHEMBL14012575 0.77 CNR2 (0.36)
SCHEMBL903169 0.75
SCHEMBL13437913 0.74 CDK2 (0.53) FDPSSMN1; SMN2ALDH1A1
SCHEMBL18469877 0.73
SCHEMBL2642559 0.73
SCHEMBL15899115 0.73
SCHEMBL2880446 0.71 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12411191 0.70 FDPS (0.58) KDRFDPSRAB9ANPC1SMN1; SMN2
SCHEMBL6232899 0.70
SCHEMBL18233015 0.69 DGAT1 (0.30)

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-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 US disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 KDR 614/4885FDPS 4432/4885RAB9A 494/4885
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 KDR 4101/4885FDPS 112/4885RAB9A 2686/4885

“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.