SCHEMBL5403909

SCHEMBL5403909

Cc1cccc2cccc(Br)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TSHR P16473 4/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2A6 P11509 3/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CYP1A2 P05177 5/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
ACHE P22303 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL30545253 1.00 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL29428696 1.00 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL26011162 1.00 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL26011160 1.00 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL23212496 0.84 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL30302288 0.84 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL588459 0.81 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL1187339 0.81 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL29374267 0.81 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL29353343 0.81 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10CYP3A4HPGD

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 226 patents — showing the first 20. 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
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 EP claimed
US-20170190694-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2017-07-06 US claimed
EP-2944633-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2015-11-18 EP claimed
US-12630566-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2026-05-19 US disclosed
EP-4216951-B1 KRAS G12D INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-04-01 EP disclosed
US-20260035339-A1 TETRAHYDRONAPHTHALENE DERIVATIVE ATRANSEN PHARMA LTD (JP) 2026-02-05 US disclosed
US-20260035389-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-02-05 US disclosed
US-12497396-B2 Nitrogen-containing heterocyclic derivatives, method therefor and application therefor as inhibitors of KRAS G12C for the treatment of cancers SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-12-16 US disclosed
EP-4031542-B1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME LLC (US) 2025-10-15 EP disclosed
US-12421253-B2 Tetrahydropyridopyrimidine pan-KRas inhibitors Mirati Therapeutics, Inc. (US) 2025-09-23 US disclosed
US-7186469-B2 Bathophenanthroline compound and EL device SONY CORPORATION (JP) 2007-03-06 US disclosed
US-7186469-B2 Bathophenanthroline compound and EL device SONY CORPORATION (JP) 2007-03-06 US disclosed
US-6972334-B1 Bathophenathroline compound and process for preparing same SONY CORPORATION (JP) 2005-12-06 US disclosed
US-20050154208-A1 Device utilizing bathophenanthroline compound and process for preparing same SHIBANUMA TETSUO (JP) 2005-07-14 US disclosed
US-20050073641-A1 Bathophenanthroline compound and process for preparing same SHIBANUMA TETSUO (JP) 2005-04-07 US disclosed
US-20040265626-A1 Optical recording medium JOLED INC. (JP) 2004-12-30 US disclosed
EP-1097980-A2 Bathophenanthroline compound and process for preparing same SONY CORPORATION (JP) 2001-05-09 EP disclosed
US-4246268-A ANTIPSYCHOTICS, TRANQUILIZERS, NEUROLEPTICS COMPOUNDS AND NOVEL INTERMEDIATES RICHARDSON-MERRELL INC. (US) 1981-01-20 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 (8 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-20050073641-A1 Bathophenanthroline compound and process for preparing same BZW1, BZW2, RPAP1 ALDH1A1 1479/4885TSHR 2539/4885HSD17B10 757/4885
US-12630566-B2 KRas G12D inhibitors KRAS, NRAS, HRAS ALDH1A1 1816/4885TSHR 4213/4885HSD17B10 3711/4885
US-12421253-B2 Tetrahydropyridopyrimidine pan-KRas inhibitors KRAS, NRAS, HRAS ALDH1A1 3283/4885TSHR 3021/4885HSD17B10 4665/4885
US-20260035339-A1 TETRAHYDRONAPHTHALENE DERIVATIVE LATS1, LATS2, BCAT1 ALDH1A1 1267/4885TSHR 3063/4885HSD17B10 548/4885
US-20050154208-A1 Device utilizing bathophenanthroline compound and process for preparing same BZW1, BZW2, AHR ALDH1A1 1377/4885TSHR 2570/4885HSD17B10 380/4885
US-20170190694-A1 PYRIDINE DERIVATIVE HPRT1, XDH, NUDT1 ALDH1A1 423/4885TSHR 3577/4885HSD17B10 636/4885
US-12497396-B2 Nitrogen-containing heterocyclic derivatives, method therefor and application therefor as inhibitors of KRAS G12C for the treatment of cancers KRAS, NRAS, GNAQ ALDH1A1 2233/4885TSHR 4349/4885HSD17B10 4101/4885
US-20260035389-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS ALDH1A1 2072/4885TSHR 3060/4885HSD17B10 3375/4885

“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.