SCHEMBL4490863

SCHEMBL4490863

CCc1ccc(N2CCCC(C(=O)NC)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.48
JAK1 P23458 1/20 0.48
JAK3 P52333 1/20 0.48
MAPT P10636 4/20 0.47
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 4/20 0.47
NAMPT P43490 2/20 0.47
POLB P06746 2/20 0.47
PAX8 Q06710 1/20 0.47
BCHE P06276 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 2/20 0.45
DEGS1 O15121 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL10299420 0.85 NOTUM (0.55) MAPTNOTUMALDH1A1MAPK1MEN1
SCHEMBL16994779 0.85 TSHR (0.53) SYKJAK1JAK3MAPTNOTUM
SCHEMBL10174567 0.84 ALDH1A1 (0.51) MAPTALDH1A1MAPK1TP53NAMPT
SCHEMBL15653408 0.84 SYK (0.52) SYKJAK1JAK3MAPTNOTUM
SCHEMBL13724554 0.84 SYK (0.52) SYKJAK1JAK3MAPTNOTUM
SCHEMBL22854275 0.83 RORC (0.53) SYKMAPTNOTUMALDH1A1MAPK1
SCHEMBL21118861 0.76 RORC (0.49) MAPTALDH1A1MAPK1POLBMEN1
SCHEMBL13733384 0.75 NOTUM (0.57) SYKJAK1JAK3NOTUMMAPK1
SCHEMBL19904490 0.75 NOTUM (0.68) SYKMAPTNOTUMALDH1A1MAPK1
SCHEMBL12777820 0.75 KDM4E (0.60) MAPTNOTUMALDH1A1TP53POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK SYK 17/4885JAK1 2/4885JAK3 4/4885

“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.