SCHEMBL5035110

SCHEMBL5035110

O=C(O)c1n[nH]c(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.55
NR1H3 Q13133 1/20 0.55
ADORA3 P0DMS8 8/20 0.54
CYP1A2 P05177 3/20 0.54
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ADORA2A P29274 7/20 0.53
ADORA1 P30542 3/20 0.53
F2 P00734 1/20 0.53
F12 P00748 1/20 0.53
DCUN1D1 Q96GG9 2/20 0.52
GRK6 P43250 1/20 0.50
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PIN1 Q13526 2/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL9107642 0.85 CYP1A2 (0.59) NR1H2NR1H3ADORA3CYP1A2MEN1
SCHEMBL15312405 0.85 F2 (0.52) CYP1A2MEN1ALDH1A1KMT2AF2
SCHEMBL17866359 0.85 CA12 (0.47) ADORA3CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL2561959 0.81 MEN1 (0.55) NR1H2NR1H3ADORA3CYP1A2MEN1
SCHEMBL10778891 0.81 ADORA3 (0.54) NR1H2NR1H3ADORA3CYP1A2MEN1
SCHEMBL2558305 0.81 ADORA3 (0.55) ADORA3CYP1A2ALDH1A1KMT2AADORA2A
SCHEMBL17866362 0.79 ADORA2A (0.59) NR1H2NR1H3CYP1A2KDM4EADORA2A
SCHEMBL21834365 0.78 GRK6 (0.62) NR1H2NR1H3ALDH1A1KDM4EADORA2A
SCHEMBL5035408 0.78 F2 (0.59) MEN1ALDH1A1KMT2AKDM4EF2
SCHEMBL7059235 0.77 ALDH1A1 (0.51) ADORA3ALDH1A1KMT2AKDM4EADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 US disclosed
US-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 US disclosed
WO-2022137033-A1 ORGANIC METAL COMPLEX, LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, ELECTRONIC EQUIPMENT, AND ILLUMINATION APPARATUS 株式会社半導体エネルギー研究所 2022-06-30 WO disclosed
WO-2022090863-A1 ORGANIC COMPOUND, CARRIER TRANSPORT MATERIAL, HOST MATERIAL, LIGHT EMITTING DEVICE, LIGHT EMITTING APPARATUS, ELECTRONIC EQUIPMENT, AND LIGHTING APPARATUS 株式会社半導体エネルギー研究所 2022-05-05 WO disclosed
US-20220127272-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2022-04-28 US disclosed
WO-2022053905-A1 ORGANIC METAL COMPLEX, LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, ELECTRONIC EQUIPMENT, AND LIGHTING DEVICE 株式会社半導体エネルギー研究所 2022-03-17 WO disclosed
US-11059825-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2021-07-13 US disclosed
US-10287292-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2019-05-14 US disclosed
EP-2925745-B1 CXCR7 ANTAGONISTS CHEMOCENTRYX INC (US) 2018-04-04 EP disclosed
US-20180086766-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2018-03-29 US disclosed
EP-1628971-B1 TRIAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-05-07 EP disclosed
US-7223780-B2 Triazole-derivatives as blood clotting enzyme factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
EP-1628971-A1 TRIAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-01 EP disclosed
US-20050009827-A1 Carboxamide derivatives of 1,2,3- and 1,2,4-triazoles and 1H- and 2H-tetrazoles, e.g., 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-pyrrol-1-yl-1H-[1,2,4]triazole-3-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
WO-2004101555-A1 TRIAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
EP-1479679-A1 Triazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP disclosed
EP-0645023-A1 IMAGEABLE ARTICLES HAVING DYE SELECTIVE INTERLAYERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-29 EP disclosed
WO-1993025936-A2 IMAGEABLE ARTICLES HAVING DYE SELECTIVE INTERLAYERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-12-23 WO disclosed
CN-1058694-A Contain 1,2, the Herbicidal combinations of 4-triazole-3-formamide and control method for weed with said composition KUREHA CHEMICAL IND CO LTD (JP) 1992-02-19 CN disclosed
CN-86108483-A 1. 2, 4-triazole-3-carboxamide compound, preparation method thereof and herbicidal composition containing same 1987-09-16 CN 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 (6 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-10287292-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 NR1H2 77/4885NR1H3 72/4885ADORA3 257/4885
US-20050009827-A1 Carboxamide derivatives of 1,2,3- and 1,2,4-triazoles and 1H- and 2H-tetrazoles, e.g., 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-pyrrol-1-yl-1H-[1,2,4]triazole-3-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide TFPI, F11, TFPI2 NR1H2 2559/4885NR1H3 2564/4885ADORA3 466/4885
US-20180086766-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 NR1H2 77/4885NR1H3 72/4885ADORA3 257/4885
US-11059825-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 NR1H2 77/4885NR1H3 72/4885ADORA3 257/4885
US-11834452-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 NR1H2 77/4885NR1H3 72/4885ADORA3 257/4885
US-20220127272-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 NR1H2 77/4885NR1H3 72/4885ADORA3 257/4885

“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.