SCHEMBL17857656

SCHEMBL17857656

NC(=O)c1cccc(C2CCNCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.50
CNR2 P34972 7/20 0.45
PARP2 Q9UGN5 2/20 0.44
SYK P43405 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
DGAT1 O75907 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDC7 O00311 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
Hydrochloric Acid SCHEMBL17837679 0.98 PARP1 (0.49) PARP1CNR2PARP2SYKHRH4
SCHEMBL3925158 0.88 CNR2 (0.50) CNR2SYKDGAT1MAP4K4
SCHEMBL410932 0.82 CNR2 (0.49) PARP1CNR2
SCHEMBL13490452 0.82 CNR2 (0.42) PARP1CNR2
SCHEMBL28801510 0.79 CYP1A2 (0.59) CNR2
SCHEMBL4299114 0.79 CNR2 (0.46) PARP1CNR2
Hydrochloric Acid SCHEMBL443946 0.78 CYP1A2 (0.57) CNR2
SCHEMBL8965901 0.78 PRKCQ (0.61) PARP1
SCHEMBL17844419 0.77 CNR2 (0.48) PARP1CNR2DGAT1MAP4K4
SCHEMBL24265537 0.76 USP7 (0.45) PARP1HRH4

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
EP-3233829-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER (US) 2019-08-14 EP disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 WO disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 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-20160176850-A1 AXL INHIBITORS AXL, FLT3, MERTK PARP1 3144/4885CNR2 4422/4885PARP2 3113/4885

“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.