SCHEMBL18291374

SCHEMBL18291374

CC(CN(C)C)Oc1ccc(N)nc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
TOP1 P11387 1/20 0.36
MPO P05164 1/20 0.36
TPO P07202 1/20 0.36
EPX P11678 1/20 0.36
LPO P22079 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
TSHR P16473 1/20 0.36
CHEK1 O14757 1/20 0.36
CHEK2 O96017 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL20038355 0.82 MCHR1 (0.38) MCHR1TOP1TSHRCHEK1CHEK2
SCHEMBL13075015 0.81 MCHR1 (0.45) MCHR1MPOTPOEPXLPO
SCHEMBL18291198 0.81 MCHR1 (0.38) MCHR1TOP1TSHRCHEK1CHEK2
SCHEMBL20038354 0.81 MCHR1 (0.40) MCHR1TOP1TSHRCHEK1CHEK2
SCHEMBL1000603 0.79 NOS3 (0.46) MCHR1MPOTPOEPXLPO
SCHEMBL20249448 0.78 CHEK1 (0.37) MCHR1TOP1TSHRCHEK1CHEK2
SCHEMBL8511953 0.78 TDP1 (0.47) MCHR1TOP1TSHRTDP1
Hydrochloric Acid SCHEMBL710140 0.77 NOS3 (0.45) MCHR1MPOTPOEPXLPO
SCHEMBL25399464 0.76 MPO (0.36) MCHR1MPOTPOEPXLPO
SCHEMBL25399467 0.76 MPO (0.36) MCHR1MPOTPOEPXLPO

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 MCHR1 4511/4885TOP1 1172/4885MPO 4768/4885

“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.