SCHEMBL4083590

SCHEMBL4083590

Cc1cccc2cccc(N)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.54
CYP3A4 P08684 6/20 0.50
TDP1 Q9NUW8 4/20 0.50
TSHR P16473 6/20 0.48
PIK3CA P42336 1/20 0.48
JAK2 O60674 1/20 0.45
RPS6KA3 P51812 1/20 0.45
MELK Q14680 1/20 0.45
STK24 Q9Y6E0 1/20 0.45
CYP1A2 P05177 3/20 0.44
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
ACHE P22303 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2A6 P11509 2/20 0.42
KEAP1 Q14145 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL31484742 1.00 CD44 (0.54) CD44CYP3A4TDP1TSHRPIK3CA
Hydrochloric Acid SCHEMBL28970550 0.98 CYP3A4 (0.54) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL6543972 0.91 CD44 (0.50) CD44CYP3A4TDP1TSHRPIK3CA
O-Tolylamine SCHEMBL28911426 0.86 CYP3A4 (0.65) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL29353343 0.81 ALDH1A1 (0.53) CYP3A4TDP1TSHRCYP1A2ALDH1A1
SCHEMBL29349435 0.81 JAK2 (0.54) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL588459 0.81 ALDH1A1 (0.53) CYP3A4TDP1TSHRCYP1A2ALDH1A1
SCHEMBL65699 0.81 JAK2 (0.54) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL6185564 0.79 CD44 (0.54) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL2799285 0.79 CYP3A4 (0.48) CD44CYP3A4TDP1TSHRPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules WATERS TECHNOLOGIES CORPORATION (US) 2024-09-10 US disclosed
CN-111644164-B Chromatographic material for separating unsaturated molecules 沃特世科技公司 2024-03-08 CN disclosed
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-07-06 US disclosed
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-07-06 US disclosed
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-07-06 US disclosed
CN-112538084-B Novel KRAS G12C protein inhibitor and preparation method and application thereof 信达生物制药(苏州)有限公司 2023-06-20 CN disclosed
US-20230151133-A1 COMPOSITION COMPRISING STYRENE ISOBUTYLENE BLOCK COPOLYMER AND ETHYLENICALLY UNSATURATED MONOMER 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-05-18 US disclosed
EP-4161934-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-04-12 EP disclosed
CN-115836072-A Inhibitors of KRAS G12C protein and uses thereof 上海德琪医药科技有限公司 2023-03-21 CN disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed
WO-2015134317-A1 CHROMOTOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2015-09-11 WO disclosed
US-20140319057-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2014-10-30 US disclosed
US-8585780-B2 Dyes and blends for shading during laundry BASF SE (DE) 2013-11-19 US disclosed
CN-1863784-B 2-naphthylimino-1,3-thiazine derivative SHIONOGI & CO 2010-11-17 CN disclosed
US-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
CN-1863784-A 2-naphthylimino-1,3-thiazine derivative SHIONOGI & CO (JP) 2006-11-15 CN disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP 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-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 CD44 4738/4885CYP3A4 95/4885TDP1 3815/4885
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF KRAS, NRAS, HRAS CD44 4027/4885CYP3A4 4611/4885TDP1 3527/4885
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 CD44 926/4885CYP3A4 511/4885TDP1 4724/4885

“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.