SCHEMBL16872017

SCHEMBL16872017

N#Cc1ncc(-c2cc(Cl)nc3c2CCC3)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.38
NSD2 O96028 1/20 0.38
KDM4E B2RXH2 11/20 0.36
ALDH1A1 P00352 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADORA2A P29274 2/20 0.36
HSD17B10 Q99714 6/20 0.34
HPGD P15428 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MDM2 Q00987 1/20 0.32
ADORA1 P30542 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
SCHEMBL16872294 0.83 KDM4E (0.39) MAPK1NSD2KDM4EALDH1A1SMN1; SMN2
SCHEMBL16872249 0.81 NOS3 (0.36) ALDH1A1GAANPSR1TSHRCYP1A2
SCHEMBL16872037 0.80 MAPK1 (0.38) MAPK1NSD2KDM4EALDH1A1SMN1; SMN2
SCHEMBL16872091 0.78 NOS3 (0.39) KDM4E
SCHEMBL16872034 0.78 ACHE (0.35) MAPK1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL16872171 0.75 ACHE (0.38) MAPK1KDM4EHSD17B10HPGDUSP2
SCHEMBL16872138 0.75 ACHE (0.36) KDM4EHSD17B10TSHRHTTCYP3A4
SCHEMBL16872210 0.71 GRM5 (0.37) KDM4EALDH1A1ADORA2ACYP1A2CYP3A4
SCHEMBL16987349 0.71 KDM4E (0.32) KDM4EADORA2A
SCHEMBL16872289 0.71 ALOX5AP (0.37) KDM4EALDH1A1SMN1; SMN2ADORA2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225404-A1 PYRIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2015-08-13 US disclosed
EP-2891656-A1 PYRIDINE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2015-07-08 EP disclosed
CN-104755471-A Pyridine derivative and drug NIPPON SHINYAKU CO LTD 2015-07-01 CN 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 (1 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-20150225404-A1 PYRIDINE DERIVATIVE AND MEDICINE TRPV1, TRPV5, TRPM5 MAPK1 329/4885NSD2 3669/4885KDM4E 1569/4885

“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.