SCHEMBL20255504

SCHEMBL20255504

O=C(NCCO)c1ccc(I)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ MMP13 P45452 1/20 0.46
▸ SPHK2 Q9NRA0 1/20 0.46
▸ SPHK1 Q9NYA1 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ NEK1 Q96PY6 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ EPHX2 P34913 2/20 0.43
▸ KDM4C Q9H3R0 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
SCHEMBL7660982 0.84 POLB (0.56) POLBHPGDHTTKDM4EMMP13
SCHEMBL28773428 0.83 POLB (0.50) POLBHPGDHTTKDM4EMMP13
SCHEMBL1308966 0.83 POLB (0.50) POLBHPGDHTTKDM4EMMP13
SCHEMBL23260943 0.82 NPC1 (0.65) POLBHPGDHTTKDM4ENPC1
SCHEMBL12143427 0.81 KDM4E (0.72) POLBHPGDHTTKDM4EMMP13
SCHEMBL29127177 0.81 EPHX2 (0.63) POLBHPGDHTTKDM4EMMP13
SCHEMBL19835593 0.81 EPHX2 (0.63) POLBHPGDHTTKDM4EMMP13
SCHEMBL16964471 0.81 EPHX2 (0.47) KDM4ENPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL20037664 0.81 ALDH1A1 (0.57) POLBHPGDHTTKDM4ENPC1
SCHEMBL12330265 0.81 KDM4E (0.51) POLBKDM4ENPC1RAB9ASMN1; SMN2

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 1 patent. 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

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 POLB 1145/4885HPGD 1213/4885HTT 3754/4885

“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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