SCHEMBL23042979

SCHEMBL23042979

C#Cc1cccc2cccc(Br)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 2/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
BACE1 P56817 1/20 0.31
NOS1 P29475 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL1414075 0.84 CYP1A1 (0.50) CYP1A1CYP1B1ALDH1A1HSD17B10TSHR
SCHEMBL21178072 0.78 MEN1 (0.37) CYP1A1CYP1B1ALDH1A1HSD17B10TSHR
SCHEMBL17955163 0.78 DYRK1A (0.43) CYP1A1CYP1B1ALDH1A1HSD17B10TSHR
SCHEMBL31174981 0.78 DYRK1A (0.43) CYP1A1CYP1B1ALDH1A1HSD17B10TSHR
SCHEMBL29374267 0.75 ALDH1A1 (0.53) CYP1A1CYP1B1ALDH1A1HSD17B10TSHR
SCHEMBL1187339 0.75 ALDH1A1 (0.53) CYP1A1CYP1B1ALDH1A1HSD17B10TSHR
SCHEMBL28782140 0.75 ALDH1A1 (0.33) CYP1A1CYP1B1ALDH1A1HSD17B10TSHR
SCHEMBL23043312 0.75 CYP1A1 (0.33) CYP1A1CYP1B1ALDH1A1HSD17B10TSHR
SCHEMBL23042993 0.75 ALDH1A1 (0.35) CYP1A1CYP1B1ALDH1A1HSD17B10TSHR
SCHEMBL22288139 0.75 DYRK1A (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907387-B Pyrimido pyrrole KRAS inhibitor and preparation method and application thereof 中山大学 2023-11-10 CN claimed
CN-114907387-A Pyrimidopyrrole KRAS inhibitor and preparation method and application thereof 中山大学 2022-08-16 CN claimed
US-12630566-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2026-05-19 US disclosed
US-20240309020-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2024-09-19 US disclosed
US-11964989-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2024-04-23 US disclosed
CN-114615981-B KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2024-04-12 CN disclosed
CN-114907387-B Pyrimido pyrrole KRAS inhibitor and preparation method and application thereof 中山大学 2023-11-10 CN disclosed
US-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 US disclosed
US-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 US disclosed
US-20230077225-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. 2023-03-09 US disclosed
US-11453683-B1 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2022-09-27 US disclosed
CN-114907387-A Pyrimidopyrrole KRAS inhibitor and preparation method and application thereof 中山大学 2022-08-16 CN disclosed
EP-4021444-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-07-06 EP disclosed
CN-114615981-A KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2022-06-10 CN disclosed
WO-2021041671-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-04 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 (6 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-20230279025-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS CYP1A1 3164/4885CYP1B1 2005/4885ALDH1A1 2943/4885
US-20230077225-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS CYP1A1 2994/4885CYP1B1 1814/4885ALDH1A1 2681/4885
US-12630566-B2 KRas G12D inhibitors KRAS, NRAS, HRAS CYP1A1 2493/4885CYP1B1 1882/4885ALDH1A1 1816/4885
US-11964989-B2 KRas G12D inhibitors KRAS, NRAS, HRAS CYP1A1 3645/4885CYP1B1 2581/4885ALDH1A1 1957/4885
US-11453683-B1 KRas G12D inhibitors KRAS, NRAS, HRAS CYP1A1 3711/4885CYP1B1 2684/4885ALDH1A1 2055/4885
US-20240309020-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS CYP1A1 2994/4885CYP1B1 1814/4885ALDH1A1 2681/4885

“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.