SCHEMBL23985000

SCHEMBL23985000

O=C(Nc1cc(-c2ccc3ncnn3c2)cc2c1C(c1cc(F)ccc1Cl)NC2=O)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.36
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
CSF1R P07333 1/20 0.34
AURKA O14965 1/20 0.34
WDR5 P61964 1/20 0.34
JAK2 O60674 3/20 0.33
PIK3CA P42336 2/20 0.33
ACLY P53396 1/20 0.32
TNIK Q9UKE5 1/20 0.32
TGFBR1 P36897 1/20 0.31
SRC P12931 1/20 0.31
ADCY8 P40145 1/20 0.31
ADCY1 Q08828 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
SCHEMBL30305561 1.00 KDR (0.36) KDRSLC6A2SLC6A4SLC6A3CSF1R
SCHEMBL23984567 1.00 KDR (0.36) KDRSLC6A2SLC6A4SLC6A3CSF1R
SCHEMBL30305516 1.00 KDR (0.36) KDRSLC6A2SLC6A4SLC6A3CSF1R
SCHEMBL30305562 1.00 KDR (0.36) KDRSLC6A2SLC6A4SLC6A3CSF1R
SCHEMBL30305451 1.00 KDR (0.36) KDRSLC6A2SLC6A4SLC6A3CSF1R
SCHEMBL23984566 1.00 KDR (0.36) KDRSLC6A2SLC6A4SLC6A3CSF1R
SCHEMBL23984644 0.95 KDR (0.36) KDRSLC6A2SLC6A4SLC6A3CSF1R
SCHEMBL23984643 0.95 KDR (0.36) KDRSLC6A2SLC6A4SLC6A3CSF1R
SCHEMBL23985535 0.93 SLC6A2 (0.35) KDRSLC6A2SLC6A4SLC6A3CSF1R
SCHEMBL23984668 0.92 BRAF (0.39) KDRCSF1RJAK2ADCY8ADCY1

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 10 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
WO-2023081757-A1 PI3K-ALPHA INHIBITORS AND METHODS OF MAKING AND USING THE SAME RELAY THERAPEUTICS, INC. (US) 2023-05-11 WO 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 KDR 1435/4885SLC6A2 3291/4885SLC6A4 3594/4885
US-20240287058-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CA, PIK3CB, PIK3CD KDR 1841/4885SLC6A2 4564/4885SLC6A4 4637/4885
US-12581252-B2 Substituted pyrrolo[3,4-b]pyridines as PI3K-α inhibitors RORB, ROR1, RORA KDR 416/4885SLC6A2 2817/4885SLC6A4 2923/4885

“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.