SCHEMBL23985262

SCHEMBL23985262

COc1ccc(CN2C(=O)c3cc(-c4ccc5ncnn5c4)cc(Br)c3C2c2cc(F)ccc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 2/20 0.40
JAK2 O60674 1/20 0.38
MAPT P10636 3/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALOX15 P16050 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HKDC1 Q2TB90 1/20 0.33
PIK3CD O00329 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN5A Q14524 1/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
TGFBR1 P36897 3/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL30305429 1.00 TNIK (0.40) TNIKJAK2MAPTGRIN1GRIN2B
SCHEMBL30305418 1.00 TNIK (0.40) TNIKJAK2MAPTGRIN1GRIN2B
SCHEMBL30305407 0.91 JAK2 (0.42) TNIKJAK2MAPTGRIN1GRIN2B
SCHEMBL23985261 0.91 JAK2 (0.42) TNIKJAK2MAPTGRIN1GRIN2B
SCHEMBL23985263 0.84 TNIK (0.37) TNIKJAK2MAPTGRIN1GRIN2B
SCHEMBL23985259 0.84 MKNK2 (0.38) TNIKJAK2MAPTGRIN1GRIN2B
SCHEMBL30305463 0.83 TNIK (0.39) TNIKJAK2MAPTALDH1A1HSD17B10
SCHEMBL23985120 0.83 TNIK (0.39) TNIKJAK2MAPTALDH1A1HSD17B10
SCHEMBL23985115 0.81 JAK2 (0.39) TNIKJAK2MAPTALDH1A1HSD17B10
SCHEMBL30305529 0.81 JAK2 (0.39) TNIKJAK2MAPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12581252-B2 Substituted pyrrolo[3,4-b]pyridines as PI3K-α inhibitors RELAY THERAPEUTICS, INC. (US) 2026-03-17 US disclosed
US-12219327-B2 Substituted isoindolines as PI3K-alpha inhibitors RELAY THERAPEUTICS, INC. (US) 2025-02-04 US disclosed
US-20240287058-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2024-08-29 US disclosed
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
EP-4143196-A1 PI3K-a INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2023-03-08 EP disclosed
WO-2021222556-A1 PI3K-α INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed
WO-2021222556-A1 PI3K-α INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2021-11-04 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 (3 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-12219327-B2 Substituted isoindolines as PI3K-alpha inhibitors PIK3CD, PIK3CB, PIK3R1 TNIK 195/4885JAK2 265/4885MAPT 3123/4885
US-20240287058-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CA, PIK3CB, PIK3CD TNIK 239/4885JAK2 177/4885MAPT 3937/4885
US-12581252-B2 Substituted pyrrolo[3,4-b]pyridines as PI3K-α inhibitors RORB, ROR1, RORA TNIK 2254/4885JAK2 946/4885MAPT 3142/4885

“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.