SCHEMBL2371767

SCHEMBL2371767

Cc1ccnc(F)c1B(O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34
FFAR1 O14842 1/20 0.31
NAPRT Q6XQN6 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
SCHEMBL29952729 1.00 CCR1 (0.35) CCR1CCR5CCR8NOS3NOS2
SCHEMBL16110848 0.78 CCR1 (0.38) CCR1CCR5CCR8NOS3NOS2
SCHEMBL1882667 0.78 NAPRT (0.32) NAPRT
SCHEMBL29954504 0.78 CCR1 (0.38) CCR1CCR5CCR8NOS3NOS2
SCHEMBL29957464 0.77 CCR1 (0.37) CCR1CCR5CCR8NOS3NOS2
SCHEMBL29956615 0.76 CCR1 (0.31) CCR1CCR5CCR8
SCHEMBL29952668 0.75 CCR1 (0.35) CCR1CCR5CCR8NOS3NOS2
SCHEMBL29956787 0.75 NOS2 (0.54) CCR1CCR5CCR8NOS3NOS2
SCHEMBL15573110 0.75 CCR1 (0.35) CCR1CCR5CCR8NOS3NOS2
SCHEMBL31016790 0.75 ENPP2 (0.38)

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
CN-112159421-A Preparation method of 2-fluoro-4-methyl-3-pyridineboronic acid 珠海奥博凯生物医药技术有限公司 2021-01-01 CN claimed
CN-107936048-A A kind of preparation method of 2 fluorine, 4 methyl, 3 pyridine boronic acid 珠海奥博凯生物医药技术有限公司 2018-04-20 CN claimed
US-11529356-B2 2-(morpholin-4-yl)-1,7-naphthyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-12-20 US disclosed
CN-110204544-B 2- (morpholin-4-yl) -1, 7-naphthyridine 拜耳制药股份公司 2022-04-12 CN disclosed
CN-110256427-B 2- (morpholin-4-yl) -1, 7-naphthyridine 拜耳制药股份公司 2022-02-22 CN disclosed
EP-3395818-B1 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES Bayer Pharma AG (DE) 2021-09-22 EP disclosed
WO-2021004535-A1 CINNOLINES AS INHIBITORS OF HPK 1 NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2021-01-14 WO disclosed
CN-112159421-A Preparation method of 2-fluoro-4-methyl-3-pyridineboronic acid 珠海奥博凯生物医药技术有限公司 2021-01-01 CN disclosed
CN-112159421-A Preparation method of 2-fluoro-4-methyl-3-pyridineboronic acid 珠海奥博凯生物医药技术有限公司 2021-01-01 CN disclosed
CN-112159421-A Preparation method of 2-fluoro-4-methyl-3-pyridineboronic acid 珠海奥博凯生物医药技术有限公司 2021-01-01 CN disclosed
US-20200383991-A1 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-12-10 US disclosed
US-8623889-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2014-01-07 US disclosed
EP-2651899-A2 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP disclosed
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2013-06-13 US disclosed
WO-2013086229-A1 BICYCLIC ARYL AND HETEROARYL SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2013-06-13 WO disclosed
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2012-12-20 US disclosed
WO-2012080284-A2 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 WO 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-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors SCN1A, SCN1B, CACNA1B CCR1 3157/4885CCR5 2536/4885CCR8 4225/4885
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 CCR1 836/4885CCR5 554/4885CCR8 1353/4885
US-11529356-B2 2-(morpholin-4-yl)-1,7-naphthyridines POLQ, CCND2, NRAS CCR1 4302/4885CCR5 3363/4885CCR8 4677/4885
US-20200383991-A1 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES POLQ, CCND2, NRAS CCR1 4302/4885CCR5 3363/4885CCR8 4677/4885
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP CCR1 3578/4885CCR5 3046/4885CCR8 4661/4885

“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.