SCHEMBL16909271

SCHEMBL16909271

Cc1cc(C#N)nc(F)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HTT P42858 3/20 0.35
MAPT P10636 3/20 0.35
XBP1 P17861 2/20 0.35
POLB P06746 3/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KHK P50053 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
GRM5 P41594 2/20 0.33
SLC6A2 P23975 1/20 0.33
MBOAT4 Q96T53 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
NCOA1 Q15788 1/20 0.32

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
SCHEMBL11942294 0.80 CYP1A2 (0.35) KDM4ECYP3A4CYP1A2CYP2C19GRM5
SCHEMBL14853156 0.80 KDM4E (0.41) KDM4EHTTMAPTXBP1POLB
SCHEMBL16909260 0.77 XDH (0.34) KDM4EKHK
SCHEMBL18398259 0.77 ALDH1A1 (0.39) KDM4EHTTMAPTXBP1ALDH1A1
SCHEMBL18398174 0.77 ALDH1A1 (0.38) KDM4EHTTMAPTPOLBALDH1A1
SCHEMBL21544305 0.74 KDM4E (0.37) KDM4EHTTMAPTXBP1POLB
SCHEMBL11029735 0.72 KHK (0.35) KDM4EMAPTKHKEGLN2
SCHEMBL11942295 0.72 CYP1A2 (0.35) KDM4ECYP3A4CYP1A2CYP2C19EGLN2
SCHEMBL27283555 0.72 MAPK1 (0.46) KDM4EHTTMAPTXBP1POLB
SCHEMBL10692686 0.69 POLB (0.49) KDM4EMAPTPOLBALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152922-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2019-05-23 US disclosed
US-20190152922-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2019-05-23 US disclosed
US-10179771-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2019-01-15 US disclosed
US-10179771-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2019-01-15 US disclosed
EP-3395802-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2018-10-31 EP disclosed
EP-3097083-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2018-08-08 EP disclosed
EP-3097083-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2018-08-08 EP disclosed
US-20170057928-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2017-03-02 US disclosed
US-20170057928-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2017-03-02 US disclosed
US-20170057928-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2017-03-02 US disclosed
EP-3097083-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos NV (BE) 2016-11-30 EP disclosed
CN-106132934-A The benzimidizole derivatives for the treatment of inflammatory disease and medical composition thereof 加拉帕戈斯股份有限公司 2016-11-16 CN disclosed
US-9440929-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2016-09-13 US disclosed
US-9440929-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2016-09-13 US disclosed
US-9440929-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2016-09-13 US disclosed
WO-2015110378-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2015-07-30 WO disclosed
WO-2015110378-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2015-07-30 WO disclosed
US-20150203455-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2015-07-23 US disclosed
US-20150203455-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2015-07-23 US disclosed
US-20150203455-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2015-07-23 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 (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-20190152922-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS JAK1, IL6, JAK3 KDM4E 1970/4885HTT 3225/4885MAPT 4806/4885
US-10179771-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders JAK1, JAK3, IL6 KDM4E 1371/4885HTT 2876/4885MAPT 4786/4885
US-20170057928-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS JAK1, IL6, JAK3 KDM4E 1970/4885HTT 3225/4885MAPT 4806/4885
US-20150203455-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS JAK1, IL6, JAK3 KDM4E 1970/4885HTT 3225/4885MAPT 4806/4885

“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.