SCHEMBL4043511

SCHEMBL4043511

O=C(NC1CC1)c1ccc(B(O)O)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.64
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
P2RX7 Q99572 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
SLC6A12 P48065 1/20 0.47
ALDH1A1 P00352 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43

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
SCHEMBL29956298 0.94 NPC1 (0.64) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL29951467 0.93 NPC1 (0.67) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29955977 0.88 HPGD (0.55) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL15940756 0.88 HPGD (0.55) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL29953310 0.82 HPGD (0.52) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL457248 0.82 NPC1 (0.50) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL15550053 0.82 HPGD (0.52) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL29956295 0.81 HPGD (0.60) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29077678 0.81 HPGD (0.71) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL28378463 0.80 HPGD (0.69) HPGDNPC1RAB9AP2RX7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117003778-A Preparation method of 3-chloro-4- (cyclopropylcarbamoyl) phenylboronic acid 烟台盛凯伦化学科技有限公司 2023-11-07 CN claimed
CN-117003778-A Preparation method of 3-chloro-4- (cyclopropylcarbamoyl) phenylboronic acid 烟台盛凯伦化学科技有限公司 2023-11-07 CN disclosed
CN-117003778-A Preparation method of 3-chloro-4- (cyclopropylcarbamoyl) phenylboronic acid 烟台盛凯伦化学科技有限公司 2023-11-07 CN disclosed
CN-117003778-A Preparation method of 3-chloro-4- (cyclopropylcarbamoyl) phenylboronic acid 烟台盛凯伦化学科技有限公司 2023-11-07 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-10570143-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2020-02-25 US disclosed
US-20190040074-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2019-02-07 US disclosed
EP-2920181-B1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIV HEALTH NETWORK (CA) 2019-01-09 EP disclosed
US-10106545-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2018-10-23 US disclosed
EP-2970353-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-04-18 EP disclosed
EP-2651948-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS Bayer Intellectual Property GmbH (DE) 2013-10-23 EP disclosed
EP-2651947-A1 6-THIO-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Intellectual Property GmbH (DE) 2013-10-23 EP disclosed
EP-2651950-A1 6 SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Intellectual Property GmbH (DE) 2013-10-23 EP disclosed
US-20130267527-A1 SUBSTITUTED 6-IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-10 US disclosed
WO-2012080230-A1 6 SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed
WO-2012080228-A1 6-THIO-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed
WO-2012080234-A1 SUBSTITUTED 6-IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed
WO-2012080236-A1 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed
WO-2012080229-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 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 (4 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-20130267527-A1 SUBSTITUTED 6-IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS TK1, FLT1, RPS6KA1 HPGD 1605/4885NPC1 2415/4885RAB9A 3863/4885
US-10570143-B2 Pyrazolopyrimidine compounds CYP3A5, CYP3A7, DPYD HPGD 1051/4885NPC1 487/4885RAB9A 1263/4885
US-10106545-B2 Pyrazolopyrimidine compounds CYP3A5, CYP3A7, DPYD HPGD 1378/4885NPC1 710/4885RAB9A 1169/4885
US-20190040074-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD HPGD 1378/4885NPC1 710/4885RAB9A 1169/4885

“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.