SCHEMBL20037755

SCHEMBL20037755

CC(=O)Nc1ccc(I)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 9/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ CA12 O43570 1/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ MB P02144 1/20 0.48
▸ CYP1A1 P04798 1/20 0.48
▸ CA3 P07451 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ RARG P13631 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALOX5AP P20292 1/20 0.48

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
SCHEMBL20255231 0.81 ALDH1A1 (0.52) KMT2AMEN1MAPTALDH1A1HSD17B10
SCHEMBL14329107 0.80 L3MBTL1 (0.60) SMN1; SMN2L3MBTL1HTTMAPTALDH1A1
SCHEMBL7964257 0.80 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL1430701 0.78 NPSR1 (0.55) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL3414322 0.78 KMT2A (0.55) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL30421055 0.78 NPSR1 (0.55) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL18291269 0.78 ALDH1A1 (0.39) SMN1; SMN2HTTKMT2AMEN1MAPT
SCHEMBL20255457 0.78 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1KMT2AMEN1MAPT
SCHEMBL5629234 0.77 KCNQ3 (0.60) SMN1; SMN2L3MBTL1HTTALDH1A1RAB9A
SCHEMBL967977 0.77 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1HTTKMT2AMEN1

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 SMN1; SMN2 1690/4885L3MBTL1 3990/4885HTT 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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