SCHEMBL523892

SCHEMBL523892

CCOc1cc(C#N)cc(OCC)c1OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.50
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 3/20 0.47
GRM5 P41594 1/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GLA P06280 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL7928393 0.82 TRPV4 (0.49) TRPV4LMNAKDM4ECYP1A2CYP3A4
SCHEMBL7928398 0.82 TRPV4 (0.49) TRPV4LMNAKDM4ECYP1A2CYP3A4
SCHEMBL18574315 0.81 TTR (0.43) TRPV4LMNAKDM4ECYP1A2CYP3A4
SCHEMBL13480569 0.79 GPR35 (0.41) TRPV4LMNAKDM4ECYP1A2CYP3A4
SCHEMBL6896899 0.79 TSHR (0.52) TRPV4LMNAKDM4ECYP1A2CYP3A4
SCHEMBL29254177 0.79 TSHR (0.47) LMNAKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL5018947 0.78 TRPV4 (0.38) TRPV4LMNAKDM4ECYP1A2CYP3A4
SCHEMBL1402437 0.78 TRPV4 (0.61) TRPV4KDM4EGRM5GAASMN1; SMN2
SCHEMBL5418640 0.76 TRPV4 (0.59) TRPV4GRM5ALDH1A1
SCHEMBL5005951 0.76 ALDH1A1 (0.48) KDM4ETSHRHSD17B10HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 US disclosed
EP-2528915-B1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
EP-2528915-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 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 (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-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 TRPV4 683/4885LMNA 1660/4885KDM4E 2972/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 TRPV4 683/4885LMNA 1660/4885KDM4E 2972/4885

“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.