SCHEMBL20037816

SCHEMBL20037816

CC(=O)N(Cc1ccc(I)nc1)CC1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ LPAR1 Q92633 2/20 0.34
▸ LPAR5 Q9H1C0 2/20 0.34
▸ RORC P51449 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CSF1R P07333 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
SCHEMBL18291749 0.86 GABRP (0.40) SLC2A1LPAR1LPAR5RORCCSF1R
SCHEMBL20249122 0.84 CNR2 (0.41) SLC2A1RORC
SCHEMBL20037784 0.81 OXTR (0.48) GAAKMT2A
SCHEMBL20255419 0.81 OXTR (0.48) GAAKMT2A
SCHEMBL20255410 0.79 FFAR2 (0.35) HTTRORCGAACSF1R
SCHEMBL20037865 0.70 ALDH1A1 (0.47) HTTNPC1RAB9AHDAC1HDAC6
SCHEMBL18291578 0.68 POLB (0.50) GAAKMT2A
SCHEMBL18291592 0.68 POLB (0.50) GAAKMT2A
SCHEMBL21400325 0.68 HDAC1 (0.55) LPAR1LPAR5KMT2AHDAC1HDAC6
SCHEMBL18291743 0.68 OXTR (0.48) GAAKMT2A

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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 — — EP 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 SLC2A1 3021/4885HTT 3754/4885LPAR1 3553/4885

“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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