SCHEMBL19701294

SCHEMBL19701294

CC1CC(n2ncc3ccc(C(C)C)cc32)CC(CI)O1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 8/20 0.39
▸ MAPK1 P28482 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
SCHEMBL19697958 0.89 PIK3CD (0.42) PIK3CDMAPK1
SCHEMBL20676266 0.77 PIK3CD (0.36) PIK3CDMAPK1
SCHEMBL22357767 0.76 HTR1A (0.40) PIK3CDMAPK1
SCHEMBL19698032 0.75 MAPK1 (0.47) PIK3CDMAPK1
SCHEMBL22357772 0.73 PDE9A (0.42) PIK3CDMAPK1
SCHEMBL20676295 0.73 PIK3CD (0.42) PIK3CDMAPK1
SCHEMBL26997324 0.73 PIK3CD (0.42) PIK3CDMAPK1
SCHEMBL26997309 0.72 KDM5A (0.39) PIK3CD
SCHEMBL21251097 0.72 PIK3CD (0.43) PIK3CD
SCHEMBL19697984 0.72 PDE9A (0.44) PIK3CDMAPK1

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-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 — — US disclosed
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — 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-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors PIK3R3, PIK3R5, PIK3R1 PIK3CD 6/4885MAPK1 200/4885
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS PIK3R3, PIK3R5, PIK3R1 PIK3CD 6/4885MAPK1 200/4885

“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.

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