SCHEMBL7964253

SCHEMBL7964253

COc1cc(Cl)c(F)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.35
▸ NQO2 P16083 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ KCNJ5 P48544 1/20 0.33
▸ KCNJ3 P48549 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CA2 P00918 2/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 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
SCHEMBL7931002 0.86 ALDH1A1 (0.50) ALDH1A1TAAR1NQO2CYP1A1CYP1B1
SCHEMBL19617225 0.81 GRM5 (0.32) —
SCHEMBL25425757 0.80 TAAR1 (0.45) ALDH1A1TAAR1NQO2CYP1A1CYP1B1
SCHEMBL20233318 0.78 ALDH1A1 (0.42) ALDH1A1TAAR1NQO2CYP1A1CYP1B1
SCHEMBL31680183 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL19642956 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL26016388 0.77 MAOB (0.36) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL25434346 0.77 TAAR1 (0.47) ALDH1A1TAAR1NQO2CYP1A1CYP1B1
SCHEMBL29466255 0.77 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1MAPTCYP3A4
SCHEMBL264987 0.77 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035335-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2026-02-05 — — US disclosed
US-20250313524-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2025-10-09 — — US disclosed
EP-4522583-A2 PI3K ALPHA INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-03-19 — — EP disclosed
CN-119486992-A PI3K alpha inhibitors and methods of use thereof 传达治疗有限公司 2025-02-18 — — CN disclosed
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 — — WO disclosed
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 — — WO disclosed
US-6169184-B1 REACTING SUBSTITUTED PYRIDINE WITH SPECIFIED ARYL COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2001-01-02 — — US 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-20250313524-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CA, PIK3CB, PIK3CD ALDH1A1 3698/4885TAAR1 4843/4885NQO2 1524/4885
US-20260035335-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CD, PIK3CG, PIK3CB ALDH1A1 4597/4885TAAR1 4856/4885NQO2 3925/4885

“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.

Send feedback