SCHEMBL23985116

SCHEMBL23985116

COc1ccc(CN2C(=O)c3nc(-c4ccc5ncnn5c4)cc(NC(=O)c4cc(F)cc(C(F)(F)F)c4)c3C2c2cc(F)ccc2Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
TP53 P04637 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
TGFBR1 P36897 4/20 0.33
THRB P10828 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
ADCY8 P40145 1/20 0.33
ADCY1 Q08828 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
RAF1 P04049 2/20 0.32
AKR1C3 P42330 1/20 0.32
RIPK1 Q13546 1/20 0.32
SDHB P21912 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL30305422 1.00 MAPT (0.35) MAPTTP53LMNASMN1; SMN2CSNK1D
SCHEMBL30305463 0.84 TNIK (0.39) MAPTTGFBR1MAPK14
SCHEMBL23985120 0.84 TNIK (0.39) MAPTTGFBR1MAPK14
SCHEMBL30855988 0.83 AKR1C3 (0.37) MAPTTP53LMNAADCY8ADCY1
SCHEMBL31620327 0.83 AKR1C3 (0.37) MAPTTP53LMNAADCY8ADCY1
SCHEMBL23985115 0.82 JAK2 (0.39) MAPTTGFBR1MAPK14
SCHEMBL30305529 0.82 JAK2 (0.39) MAPTTGFBR1MAPK14
SCHEMBL23985113 0.81 KDR (0.35) CSNK1DCSNK1ETGFBR1MAPK14
SCHEMBL30305520 0.81 KDR (0.35) CSNK1DCSNK1ETGFBR1MAPK14
SCHEMBL23985112 0.81 TGFBR1 (0.37) LMNATGFBR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12219327-B2 Substituted isoindolines as PI3K-alpha inhibitors RELAY THERAPEUTICS, INC. (US) 2025-02-04 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
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 (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-12219327-B2 Substituted isoindolines as PI3K-alpha inhibitors PIK3CD, PIK3CB, PIK3R1 MAPT 3123/4885TP53 527/4885LMNA 3588/4885

“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.