SCHEMBL19280434

SCHEMBL19280434

Cc1cc(I)n2ncnc(Cl)c12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.31
ENPP1 P22413 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
SCHEMBL24392052 0.81 ALDH1A1 (0.35) ALDH1A1KDM4EPKMENPP1
SCHEMBL22055531 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EPKMENPP1
SCHEMBL21199137 0.79 ALDH1A1 (0.33) ALDH1A1KDM4EPKMENPP1
SCHEMBL24392619 0.79 EGLN2 (0.35) ALDH1A1KDM4EPKMENPP1
SCHEMBL19280465 0.79 PIK3CD (0.35) ALDH1A1
SCHEMBL12365527 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EENPP1
SCHEMBL24391971 0.75 EGLN2 (0.38)
SCHEMBL24392211 0.68 ALDH1A1 (0.32) ALDH1A1KDM4E
SCHEMBL12365566 0.68 ALDH1A1 (0.41) ALDH1A1KDM4EENPP1
SCHEMBL24393212 0.67 ALDH1A1 (0.35) ALDH1A1KDM4EPKMENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-3209664-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-30 EP 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 ALDH1A1 3131/4885KDM4E 2233/4885PKM 2814/4885

“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.