SCHEMBL18291378

SCHEMBL18291378

Cc1ccc(CN2CCCOCC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ LTA4H P09960 2/20 0.46
▸ PDE1B Q01064 1/20 0.45
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ NOS3 P29474 1/20 0.43
▸ NOS1 P29475 1/20 0.43
▸ NOS2 P35228 1/20 0.43

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
SCHEMBL20037986 0.97 HRH3 (0.47) HRH3SMN1; SMN2LTA4HPDE1BCHRNB2
SCHEMBL392141 0.94 HRH3 (0.56) HRH3SMN1; SMN2HIF1AEPAS1NOS3
SCHEMBL12049097 0.86 CHRNB2 (0.51) HRH3CHRNB2CHRNA4
SCHEMBL4554100 0.86 CHRNB2 (0.56) HRH3CHRNB2CHRNA4
SCHEMBL12334539 0.84 HRH3 (0.59) HRH3CHRNB2CHRNA4
SCHEMBL20037985 0.82 HRH3 (0.53) HRH3SMN1; SMN2LTA4HPDE1BHIF1A
SCHEMBL18291425 0.82 HRH3 (0.53) HRH3SMN1; SMN2LTA4HHIF1AEPAS1
SCHEMBL20249173 0.82 HRH3 (0.49) HRH3SMN1; SMN2LTA4HPDE1BHIF1A
SCHEMBL20901800 0.80 HRH3 (0.65) HRH3SMN1; SMN2LTA4HNOS3NOS1
SCHEMBL20037919 0.77 CXCR4 (0.62) HRH3

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 — — US disclosed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 — — EP disclosed
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 — — 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 HRH3 2304/4885SMN1; SMN2 1690/4885LTA4H 3374/4885

“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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