SCHEMBL22367405

SCHEMBL22367405

COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.82
KDR P35968 6/20 0.82
ERBB2 P04626 3/20 0.82
FBP1 P09467 3/20 0.82
EPHB2 P29323 2/20 0.82
ABCG2 Q9UNQ0 2/20 0.82
KDM4E B2RXH2 1/20 0.82
GAK O14976 1/20 0.82
MAPK13 O15264 1/20 0.82
ABL1 P00519 1/20 0.82
CYP1A2 P05177 1/20 0.82
CDK1 P06493 1/20 0.82
CYP3A4 P08684 1/20 0.82
CYP2D6 P10635 1/20 0.82
MAPT P10636 1/20 0.82
CYP2C9 P11712 1/20 0.82
SRC P12931 1/20 0.82
TSHR P16473 1/20 0.82
MAPK1 P28482 1/20 0.82
CYP2C19 P33261 1/20 0.82

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
SCHEMBL4229994 0.95 EGFR (0.82) EGFRKDRERBB2FBP1EPHB2
SCHEMBL9423 0.90 EGFR (1.00) EGFRKDRERBB2FBP1EPHB2
SCHEMBL29444884 0.90 EGFR (1.00) EGFRKDRERBB2FBP1EPHB2
SCHEMBL30363011 0.90 EGFR (1.00) EGFRKDRERBB2FBP1EPHB2
Hydrochloric Acid SCHEMBL93918 0.89 EGFR (1.00) EGFRKDRERBB2FBP1EPHB2
Hydrochloric Acid SCHEMBL30362813 0.89 EGFR (1.00) EGFRKDRERBB2FBP1EPHB2
Hydrochloric Acid SCHEMBL29369196 0.89 EGFR (1.00) EGFRKDRERBB2FBP1EPHB2
SCHEMBL13604745 0.88 EGFR (0.82) EGFRKDREPHB2GAKRET
SCHEMBL6674055 0.87 KDR (0.82) EGFRKDRERBB2FBP1EPHB2
SCHEMBL2100551 0.87 EGFR (0.82) EGFRKDRERBB2FBP1EPHB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11242344-B2 (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof GENENTECH, INC. (US) 2022-02-08 US disclosed
US-20210309660-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2021-10-07 US disclosed
EP-3700901-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2020-09-02 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 (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-20210309660-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF VHL, MDM2, CUL2 EGFR 2005/4885KDR 327/4885ERBB2 730/4885
US-11242344-B2 (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof VHL, MDM2, CUL2 EGFR 2005/4885KDR 327/4885ERBB2 730/4885

“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.