Sugi Predict

Sugi Predict / Compounds / SCHEMBL293768

SCHEMBL293768

SCHEMBL293768

[CH2]CCCN1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 3/20 0.56
▸ SIGMAR1 Q99720 3/20 0.47
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ RAD52 P43351 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ GNAI3 P08754 3/20 0.36
▸ GNAO1 P09471 3/20 0.36
▸ GNAI1 P63096 3/20 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
SCHEMBL1282474 0.93 CXCR4 (0.57) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
SCHEMBL55508 0.91 CXCR4 (0.61) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
SCHEMBL4720533 0.86 — —
SCHEMBL4594 0.84 — —
SCHEMBL8614873 0.84 CXCR4 (0.70) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
SCHEMBL993010 0.84 CXCR4 (0.73) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL5570648 0.81 CXCR4 (0.67) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
SCHEMBL21569302 0.81 CXCR4 (0.74) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
SCHEMBL1841507 0.81 CXCR4 (0.74) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
SCHEMBL11726023 0.81 CXCR4 (0.74) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450283-B 3, 6-Diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2024-05-07 — — CN claimed
EP-4003988-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2022-06-01 — — EP claimed
CN-114450283-A 3, 6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2022-05-06 — — CN claimed
CN-112898286-A Benzothiophene compound or pharmaceutically acceptable salt and isomer thereof, and preparation method, pharmaceutical composition and application thereof 中国药科大学 2021-06-04 — — CN claimed
US-10975092-B2 Pyrimidine seven-membered-ring compounds, preparation method therefor, pharmaceutical composition thereof, and uses thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2021-04-13 — — US claimed
WO-2021018857-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2021-02-04 — — WO claimed
US-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF Anhui New Star Pharmaceutical Development Co., Ltd . (CN) 2020-04-16 — — US claimed
CN-110862397-A Dioxane quinazoline and dioxane quinoline compounds, and preparation method and application thereof 北京赛特明强医药科技有限公司 2020-03-06 — — CN claimed
CN-110041854-A Photovoltaic module adhesive and its application, photovoltaic module and optical reflection film 常州百佳年代薄膜科技股份有限公司 2019-07-23 — — CN claimed
CN-107971455-B Heavy castings alcohol-base paint and preparation method thereof 二重（德阳）重型装备有限公司 2019-07-09 — — CN claimed
EP-0885198-B1 4-ANILINOQUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-12-19 — — EP claimed
US-6291455-B1 PRODUCING AN ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY REDUCING EFFECT ZENECA LIMITED (GB) 2001-09-18 — — US claimed
CN-1212684-A 4-anilinoquinazoline derivatives ZENECA LTD (GB) 1999-03-31 — — CN claimed
EP-0885198-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-12-23 — — EP claimed
WO-1997032856-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-12 — — WO claimed
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 — — US claimed
CN-1028638-C Multilayer film materials system HIDAKA HIROYOSHI (JP) 1995-05-31 — — CN claimed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 — — US claimed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 — — EP claimed
US-4410536-A 7,8,9,10-Tetrahydrothieno[3,2-e]pyrido[4,3-b]indole compounds and their anti-depressant use TROPONWERKE GMBH & CO. K.G. (DE) 1983-10-18 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10975092-B2 Pyrimidine seven-membered-ring compounds, preparation method therefor, pharmaceutical composition thereof, and uses thereof MST1, STK11, MSTN CXCR4 1388/4885SIGMAR1 4373/4885POLB 1031/4885
US-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF MST1, STK11, MSTN CXCR4 1388/4885SIGMAR1 4373/4885POLB 1031/4885

“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.