SCHEMBL1059698

SCHEMBL1059698

COc1cc2ncccc2cc1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.77
PDGFRA P16234 3/20 0.77
ALDH1A1 P00352 2/20 0.50
CCR1 P32246 1/20 0.47
CCR8 P51685 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
P2RX7 Q99572 2/20 0.45
POLB P06746 2/20 0.44
NQO2 P16083 2/20 0.44
SYK P43405 2/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
G6PD P11413 1/20 0.44
PKM P14618 1/20 0.44
PDE10A Q9Y233 1/20 0.42
TLR8 Q9NR97 1/20 0.42
AURKA O14965 1/20 0.42

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
SCHEMBL244602 0.93 PDGFRB (0.77) PDGFRBPDGFRAALDH1A1CCR1CCR8
SCHEMBL4299023 0.87 PDGFRB (1.00) PDGFRBPDGFRAALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL29357672 0.85 PDGFRB (0.96) PDGFRBPDGFRAALDH1A1NPC1RAB9A
SCHEMBL3896160 0.81 PDGFRB (0.74) PDGFRBPDGFRAALDH1A1NPC1RAB9A
SCHEMBL15876716 0.81 PDGFRB (0.74) PDGFRBPDGFRAALDH1A1NPC1RAB9A
SCHEMBL15876747 0.81 PDGFRB (0.74) PDGFRBPDGFRAALDH1A1NPC1RAB9A
SCHEMBL6033532 0.81 PDGFRB (0.74) PDGFRBPDGFRAALDH1A1NPC1RAB9A
SCHEMBL31187502 0.81 PDGFRB (0.74) PDGFRBPDGFRAALDH1A1NPC1RAB9A
SCHEMBL22342694 0.81 PDGFRB (0.74) PDGFRBPDGFRAALDH1A1NPC1RAB9A
SCHEMBL360006 0.81 PDGFRB (0.74) PDGFRBPDGFRAALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212565-A2 MOLECULAR EDITING OF MULTIPLE C-H BONDS BY LEVERAGING RECOGNITION OF DISTANCE, GEOMETRY AND CHIRALITY THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-02 WO disclosed
EP-4227304-A2 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS Novartis AG (CH) 2023-08-16 EP disclosed
EP-4019498-A1 PROCESSES FOR PREPARING QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS Exelixis, Inc. (US) 2022-06-29 EP disclosed
WO-2021067313-A1 EUKARYOTIC SEMI-SYNTHETIC ORGANISMS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-08 WO disclosed
EP-3736271-A1 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS Novartis AG (CH) 2020-11-11 EP disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20150218175-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS NOVARTIS AG (CH) 2015-08-06 US disclosed
EP-2349273-B1 MODULATORS OF CXCR7 CHEMOCENTRYX INC (US) 2015-04-08 EP disclosed
EP-2349273-B1 MODULATORS OF CXCR7 CHEMOCENTRYX INC (US) 2015-04-08 EP disclosed
CN-102271681-B CXCR7 modulators CHEMOCENTRYX INC 2014-11-12 CN disclosed
US-20110014121-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2011-01-20 US disclosed
US-20110014121-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2011-01-20 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
WO-2010054006-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-05-14 WO disclosed
WO-2010054006-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-05-14 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-20110014121-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 PDGFRB 810/4885PDGFRA 932/4885ALDH1A1 1777/4885
US-20100311712-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 PDGFRB 810/4885PDGFRA 932/4885ALDH1A1 1777/4885
US-20150218175-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS SMN1; SMN2, SF3B5, SF3B1 PDGFRB 1161/4885PDGFRA 1298/4885ALDH1A1 718/4885
US-20100150831-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 PDGFRB 810/4885PDGFRA 932/4885ALDH1A1 1777/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 PDGFRB 1110/4885PDGFRA 1458/4885ALDH1A1 3524/4885

“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.