SCHEMBL16741876

SCHEMBL16741876

CNc1cc2c(cnn2CCN(C)C)cc1N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.42
▸ KCNH2 Q12809 2/20 0.37
▸ MCHR1 Q99705 2/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ BRD4 O60885 6/20 0.33
▸ KMO O15229 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC2 Q92769 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
SCHEMBL6070011 0.78 HTR2A (0.47) EGFRKCNH2MCHR1CNR1CNR2
SCHEMBL29533972 0.75 CHEK1 (0.47) EGFRKCNH2MCHR1HTR2AHTR2C
SCHEMBL6070377 0.75 CHEK1 (0.47) EGFRKCNH2MCHR1HTR2AHTR2C
SCHEMBL5427359 0.73 CNR1 (0.34) EGFRCNR1CNR2ADORA2AADORA1
SCHEMBL31351306 0.73 HTR1D (0.44) EGFRKCNH2MCHR1
SCHEMBL31351105 0.73 CARM1 (0.40) EGFRKCNH2MCHR1HTR2AHTR2C
SCHEMBL17678355 0.71 KMO (0.61) EGFRKCNH2MCHR1HTR2AHTR2C
SCHEMBL25975946 0.71 KMO (0.47) EGFRKCNH2MCHR1HTR2AHTR2C
SCHEMBL6069750 0.70 HTR2A (0.44) EGFRKCNH2MCHR1HTR2AHTR2C
SCHEMBL23533615 0.70 EGFR (0.55) EGFRKCNH2MCHR1HTR2AHTR2C

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-20160297833-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS Bayer Pharma AG (DE) 2016-10-13 — — US disclosed
EP-3071577-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-09-28 — — EP disclosed
WO-2015074986-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 — — 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 (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-20160297833-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS MKNK1, MKNK2, DTYMK EGFR 2190/4885KCNH2 3230/4885MCHR1 4359/4885

“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.

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