SCHEMBL19087069

SCHEMBL19087069

CCC1=CCN(Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.48
MC4R P32245 1/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
ACHE P22303 1/20 0.43
GAA P10253 1/20 0.41
DRD4 P21917 1/20 0.41
TP53 P04637 1/20 0.40
FUCA1 P04066 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL10296078 0.86 SIGMAR1 (0.48) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL19116512 0.84 ALDH1A1 (0.46) SIGMAR1POLBDRD4TP53ALDH1A1
SCHEMBL1233809 0.83 SIGMAR1 (0.46) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL5154581 0.83 SIGMAR1 (0.50) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL19116976 0.83 SIGMAR1 (0.50) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL21254439 0.82 DRD2 (0.43) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL325929 0.82 SIGMAR1 (0.48) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL6621542 0.78 SIGMAR1 (0.52) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL19077905 0.74 SIGMAR1 (0.47) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL27920146 0.74 SIGMAR1 (0.51) SIGMAR1MC4RLMNAPOLBACHE

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
WO-2017120194-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-07-13 WO disclosed
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 SIGMAR1 3726/4885MC4R 3462/4885LMNA 3680/4885

“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.