SCHEMBL19087053

SCHEMBL19087053

CCCC(C)c1ncc(C2CC2)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
KDM1A O60341 1/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
CCR5 P51681 1/20 0.30
NPY5R Q15761 1/20 0.30

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
SCHEMBL19077856 0.79 KDM1A (0.35) KDM1ANPY5R
SCHEMBL23769005 0.74 ALOX5 (0.38)
SCHEMBL19077858 0.73 NPY5R (0.39) KDM1ANPY5R
SCHEMBL27832082 0.73 GPR84 (0.32) KDM1A
SCHEMBL19077894 0.73 NPY5R (0.42) CCNA2CDK2KDM1ANPY5R
SCHEMBL27850475 0.70 SCN10A (0.32)
SCHEMBL24486069 0.70 NPY5R (0.37) KDM1ANPY5R
SCHEMBL27922326 0.70 GPR84 (0.31)
SCHEMBL27922414 0.69 GPR84 (0.30)
SCHEMBL19965734 0.68 AXL (0.35)

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-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 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-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB CCNA2 1794/4885CDK2 205/4885CCNA1 1532/4885

“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.