SCHEMBL18291407

SCHEMBL18291407

CS(=O)(=O)N(Cc1ccc(N)nc1)C[C@@H]1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ PER2 O15055 2/20 0.44
▸ CRY1 Q16526 2/20 0.44
▸ CRY2 Q49AN0 2/20 0.44
▸ ALDH1A1 P00352 7/20 0.42
▸ POLB P06746 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ GRIN1 Q05586 1/20 0.37
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ OXTR P30559 1/20 0.37
▸ AVPR1A P37288 1/20 0.37

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
SCHEMBL18291402 1.00 SMN1; SMN2 (0.46) SMN1; SMN2PER2CRY1CRY2ALDH1A1
SCHEMBL18291553 0.87 SMN1; SMN2 (0.47) SMN1; SMN2PER2CRY1CRY2ALDH1A1
SCHEMBL20037844 0.86 SMN1; SMN2 (0.46) SMN1; SMN2PER2CRY1CRY2ALDH1A1
SCHEMBL20037789 0.86 SMN1; SMN2 (0.46) SMN1; SMN2PER2CRY1CRY2ALDH1A1
SCHEMBL20249120 0.84 ALDH1A1 (0.45) SMN1; SMN2PER2CRY1CRY2ALDH1A1
SCHEMBL20249123 0.84 ALDH1A1 (0.45) SMN1; SMN2PER2CRY1CRY2ALDH1A1
SCHEMBL18291401 0.81 FFAR2 (0.35) SMN1; SMN2HTT
SCHEMBL18291731 0.80 OXTR (0.48) POLBGAAOXTRAVPR1A
SCHEMBL18291743 0.80 OXTR (0.48) POLBGAAOXTRAVPR1A
SCHEMBL18291418 0.70 SLC6A2 (0.37) PER2GAALMNA

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 SMN1; SMN2 1690/4885PER2 2006/4885CRY1 1522/4885

“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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