SCHEMBL16655376

SCHEMBL16655376

Nc1nccc2c1c(Br)nn2C1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.46
BTK Q06187 11/20 0.46
ATR Q13535 7/20 0.46
CTSD P07339 1/20 0.37
RET P07949 1/20 0.34

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
SCHEMBL24429388 0.84 RET (0.42) PIK3CDRET
SCHEMBL16655487 0.79 PIK3CD (0.52) PIK3CDBTKATR
SCHEMBL14635974 0.74 RPS6KA5 (0.39) PIK3CDBTKRET
SCHEMBL14635975 0.74 RPS6KA5 (0.39) PIK3CDBTKRET
Hydrochloric Acid SCHEMBL21903713 0.74 RPS6KA5 (0.38) PIK3CDBTKRET
Hydrochloric Acid SCHEMBL21903715 0.74 RPS6KA5 (0.38) PIK3CDBTKRET
SCHEMBL5814555 0.74 RET (0.38) PIK3CDBTKRET
Hydrochloric Acid SCHEMBL31684272 0.74 RPS6KA5 (0.38) PIK3CDBTKRET
SCHEMBL16655602 0.74 PIK3CD (0.73) PIK3CDBTKATR
SCHEMBL16655203 0.74 PIK3CD (0.73) PIK3CDBTKATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP disclosed
EP-3057951-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
WO-2015057205-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB PIK3CD 2/4885BTK 1/4885ATR 680/4885

“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.