SCHEMBL325378

SCHEMBL325378

COC(OC)c1ccc2c(n1)NCCC2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.39
ITGAV P06756 18/20 0.39
ITGB3 P05106 15/20 0.39
ITGB6 P18564 6/20 0.39
ITGB5 P18084 5/20 0.38
ITGB8 P26012 3/20 0.38
ITGA2B P08514 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
SCHEMBL16668608 0.95 CXCR4 (0.36) CXCR4ITGAVITGB3ITGB6ITGB5
SCHEMBL279379 0.82 CXCR4 (0.42) CXCR4ITGAVITGB3ITGB6ITGB5
SCHEMBL4530325 0.78 ITGAV (0.43) CXCR4ITGAVITGB3ITGB6ITGB5
SCHEMBL19544248 0.78 CXCR4 (0.39) CXCR4ITGAVITGB3ITGB6ITGB5
SCHEMBL8354537 0.76 ITGAV (0.41) CXCR4ITGAVITGB3ITGB6ITGB8
SCHEMBL28728264 0.76 SMN1; SMN2 (0.33)
SCHEMBL21715684 0.75 ITGAV (0.40) CXCR4ITGAVITGB3ITGB6ITGB5
SCHEMBL4762028 0.75 ITGB3 (0.50) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL22807265 0.74 UHRF1 (0.64)
SCHEMBL16668121 0.74 ALDH1A1 (0.37) ITGAVITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003400-B 2-Formyl tetrahydronaphthyridine compound and medicinal composition and application thereof 暨南大学 2025-05-02 CN disclosed
WO-2024083086-A1 BICYCLIC DERIVATIVE INTEGRIN INHIBITOR 上海如凌生物医药有限公司 2024-04-25 WO disclosed
CN-117903171-A Integrin inhibitors of a class of bicyclic derivatives 上海如凌生物医药有限公司 2024-04-19 CN disclosed
US-11667631-B2 FGFR4 inhibitor, preparation method therefor, and applications thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 US disclosed
US-11667631-B2 FGFR4 inhibitor, preparation method therefor, and applications thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 US disclosed
CN-116003400-A 2-formyl tetrahydronaphthyridine compound and medicinal composition and application thereof 暨南大学 2023-04-25 CN disclosed
US-11608332-B2 FGFR4 inhibitor and preparation method and use thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-03-21 US disclosed
US-20220362245-A1 COMPOUNDS FOR INHIBITING FGFR4 TERNS PHARMACEUTICALS, INC. (US) 2022-11-17 US disclosed
CN-113234072-B FGFR4 inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-04 CN disclosed
CN-113105454-B FGFR4 inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2022-10-11 CN disclosed
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 US disclosed
US-6514964-B1 Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors AMGEN INC. 2003-02-04 US disclosed
EP-1196384-A4 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO INC (US) 2002-10-23 EP disclosed
EP-1196384-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF Merck & Co., Inc. (US) 2002-04-17 EP disclosed
US-20020010176-A1 Integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-01-24 US disclosed
US-6297249-B1 SUBSTITUTED 2-CARBOXYALKYLPYRIDINES MERCK & CO., INC. 2001-10-02 US disclosed
US-6211184-B1 TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS MERCK & CO., INC. 2001-04-03 US disclosed
WO-2001000578-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO., INC. (US) 2001-01-04 WO disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US disclosed
US-5981546-A Integrin antagonists MERCK & CO., INC. (US) 1999-11-09 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 (5 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-11667631-B2 FGFR4 inhibitor, preparation method therefor, and applications thereof FGFR4, FGFR1, FGFR2 CXCR4 1439/4885ITGAV 2762/4885ITGB3 3611/4885
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 CXCR4 2626/4885ITGAV 4174/4885ITGB3 2550/4885
US-11608332-B2 FGFR4 inhibitor and preparation method and use thereof FGFR4, FGFR1, FGFR2 CXCR4 1917/4885ITGAV 4004/4885ITGB3 3836/4885
US-20020010176-A1 Integrin receptor antagonists ITGAV, ITGB3, ADGRE5 CXCR4 35/4885ITGAV 1/4885ITGB3 2/4885
US-20220362245-A1 COMPOUNDS FOR INHIBITING FGFR4 FGFR4, FGFR1, FGFR3 CXCR4 2348/4885ITGAV 4306/4885ITGB3 3912/4885

“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.