Sugi Predict

Sugi Predict / Compounds / SCHEMBL3601427

SCHEMBL3601427

SCHEMBL3601427

Cc1cc(Br)cc(C(C)C)c1N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.50
▸ GABRB1 P18505 1/20 0.50
▸ POLB P06746 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPK1 P28482 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL31506856 1.00 GABRA1 (0.50) GABRA1GABRB1POLBGAAGFER
SCHEMBL636376 0.86 GABRA1 (0.58) GABRA1GABRB1POLBGAAGFER
Bromide SCHEMBL9491638 0.84 GABRA1 (0.56) GABRA1GABRB1POLBGAAGFER
SCHEMBL17262069 0.80 GABRA1 (0.52) GABRA1GABRB1POLBGAAGFER
SCHEMBL24115940 0.80 GABRA1 (0.43) GABRA1POLBGAAGFERALDH1A1
SCHEMBL146892 0.78 ALDH1A1 (0.58) POLBGAAALDH1A1CYP3A4TSHR
SCHEMBL5160431 0.77 ALDH1A1 (0.40) POLBGAAGFERALDH1A1CYP3A4
SCHEMBL28846206 0.77 ALDH1A1 (0.59) POLBGAAGFERALDH1A1CYP3A4
SCHEMBL27808479 0.77 KDM4E (0.42) POLBGAAGFERALDH1A1CYP3A4
SCHEMBL21077346 0.77 GABRA1 (0.48) GABRA1GABRB1POLBGAAGFER

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-12-18 — — US disclosed
US-12440491-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2025-10-14 — — US disclosed
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 — — US disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 — — EP disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 — — EP disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 — — US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 — — US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 — — US disclosed
CN-112313231-B OGA inhibitor compounds 詹森药业有限公司 2023-05-09 — — CN disclosed
US-20230099293-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-03-30 — — US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 — — US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 — — US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 — — US disclosed
CN-1917921-A Calcitonin gene related peptide receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2007-02-21 — — CN disclosed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 — — EP disclosed
EP-1667989-A1 SUBSTITUTED ISOQUINOLINONES Portola Pharmaceuticals, Inc. (US) 2006-06-14 — — EP disclosed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 — — WO disclosed
US-20050113399-A1 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-26 — — US disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 — — WO disclosed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 — — 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 (7 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-20050113399-A1 Substituted isoquinolinones PFKP, MPL, TBXA2R GABRA1 2249/4885GABRB1 3164/4885POLB 2139/4885
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS GABRA1 4420/4885GABRB1 4391/4885POLB 549/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS GABRA1 4420/4885GABRB1 4391/4885POLB 549/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS GABRA1 4420/4885GABRB1 4391/4885POLB 549/4885
US-20230099293-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN GABRA1 3612/4885GABRB1 3095/4885POLB 402/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS GABRA1 4420/4885GABRB1 4391/4885POLB 549/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR GABRA1 1018/4885GABRB1 961/4885POLB 2692/4885

“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.