SCHEMBL13385019

SCHEMBL13385019

COC(=O)c1cc([N+](=O)[O-])c(Cl)c2c1OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
HTR4 Q13639 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPK1 P28482 3/20 0.40
MAPT P10636 4/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
VCAM1 P19320 1/20 0.36
GPR35 Q9HC97 1/20 0.36
POLB P06746 2/20 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
SCHEMBL13603006 0.84 PDGFRB (0.43) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL15322464 0.84 PDGFRB (0.43) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7398875 0.84 HTR4 (0.55) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL13385021 0.83 ALDH1A1 (0.42) TDP1ALDH1A1MEN1KMT2AMAPK1
SCHEMBL15324928 0.81 PDGFRB (0.43) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL13603024 0.79 PDGFRB (0.41) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL13385016 0.78 GPR35 (0.38) TDP1ALDH1A1KDM4EVCAM1GPR35
SCHEMBL13603003 0.77 KDM4E (0.55) HTR4ALDH1A1KDM4EMAPTLMNA
SCHEMBL19723019 0.76 KDM4E (0.43) TDP1HTR4ALDH1A1KDM4EMEN1
SCHEMBL13975086 0.76 MAPT (0.41) TDP1SIRT6ALDH1A1KDM4EMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709989-B1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UC (IE) 2017-12-20 EP disclosed
US-8916575-B2 Quinazoline derivatives for the treatment of viral infections and further diseases JANSSEN R&D IRELAND (IE) 2014-12-23 US disclosed
US-20140073642-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN R&D IRELAND (IE) 2014-03-13 US disclosed
US-8334304-B2 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-18 US disclosed
US-8334304-B2 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-18 US disclosed
WO-2012156498-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN R&D IRELAND (IE) 2012-11-22 WO disclosed
US-20100087483-A1 Aminosulfonyl Substituted 4-(Aminomethyl)-Piperidine Benzamides As 5HT 4-Antagonists BOSMANS JEAN-PAUL RENE MARIE ANDRE 2010-04-08 US disclosed
US-20100087483-A1 Aminosulfonyl Substituted 4-(Aminomethyl)-Piperidine Benzamides As 5HT 4-Antagonists BOSMANS JEAN-PAUL RENE MARIE ANDRE 2010-04-08 US disclosed
US-7652040-B2 gastrointestinal disorders hypermotility, irritable bowel syndrome, constipation or diarrhea JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US disclosed
US-7638535-B2 (3S)-trans)-8-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid [3-hydroxy-1-(3-methoxy-propyl)-piperidin-4-ylmethyl]-amide; hypermotility, irritable bowel syndrome, constipation or diarrhea predominant IDS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-29 US disclosed
US-7638535-B2 (3S)-trans)-8-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid [3-hydroxy-1-(3-methoxy-propyl)-piperidin-4-ylmethyl]-amide; hypermotility, irritable bowel syndrome, constipation or diarrhea predominant IDS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-29 US 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 (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-20140073642-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES TLR3, TLR5, TLR4 PDGFRB 602/4885FGFR1 2911/4885PDGFRA 505/4885
US-20100087483-A1 Aminosulfonyl Substituted 4-(Aminomethyl)-Piperidine Benzamides As 5HT 4-Antagonists HTR4, HTR2B, HTR2C PDGFRB 261/4885FGFR1 4608/4885PDGFRA 267/4885

“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.