SCHEMBL18291375

SCHEMBL18291375

CS(=O)(=O)N(Cc1ccc(I)nc1)C1CCOC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ KCNH2 Q12809 3/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ PER2 O15055 2/20 0.34
▸ AVPR1B P47901 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ FES P07332 1/20 0.33
▸ ROS1 P08922 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ PHKG2 P15735 1/20 0.33
▸ AKT1 P31749 1/20 0.33

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
SCHEMBL18291418 0.86 SLC6A2 (0.37) SLC6A2SLC6A4KCNH2SLC6A3PER2
SCHEMBL20249152 0.84 SLC6A2 (0.36) SLC6A2SLC6A4KCNH2SLC6A3PER2
SCHEMBL20255410 0.76 FFAR2 (0.35) GAA
SCHEMBL20037822 0.70 GRIA2 (0.36) MEN1KMT2AKDM4E
SCHEMBL20037789 0.70 SMN1; SMN2 (0.46) PER2GAALMNA
SCHEMBL20037844 0.70 SMN1; SMN2 (0.46) PER2GAALMNA
SCHEMBL31428916 0.65 KCNH2 (0.51) SLC6A2SLC6A4KCNH2SLC6A3PER2
SCHEMBL20847588 0.63 HDAC6 (0.53) ELOVL1MEN1KMT2A
SCHEMBL24975790 0.63 SLC6A2 (0.48) SLC6A2SLC6A4KCNH2SLC6A3PER2
SCHEMBL31428800 0.63 SLC6A2 (0.48) SLC6A2SLC6A4KCNH2SLC6A3PER2

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 2 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
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 SLC6A2 2659/4885SLC6A4 1825/4885KCNH2 3160/4885

“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.

Send feedback