SCHEMBL23917562

SCHEMBL23917562

Clc1nccc2c1c(-c1ccccc1)nn2C1Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.43
BTK Q06187 11/20 0.43
ATR Q13535 6/20 0.38
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
KDM4A O75164 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL16655487 0.75 PIK3CD (0.52) PIK3CDBTKATR
SCHEMBL16655203 0.73 PIK3CD (0.73) PIK3CDBTKATR
SCHEMBL16655376 0.69 PIK3CD (0.46) PIK3CDBTKATR
SCHEMBL24429536 0.66 RET (0.31) PIK3CD
SCHEMBL30321052 0.66 RET (0.39) PIK3CDCDK2
SCHEMBL24096859 0.66 NR3C1 (0.39)
SCHEMBL24096857 0.66 RET (0.39) PIK3CDCDK2
SCHEMBL20645214 0.63 ESR1 (0.36) PIK3CD
SCHEMBL16655916 0.62 PIK3CD (0.74) PIK3CDBTKATR
SCHEMBL22902484 0.60 BTK (0.55) BTK

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-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 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 (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.