SCHEMBL20255457

SCHEMBL20255457

O=C(CO)Nc1ccc(I)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PTPN1 P18031 1/20 0.41
▸ CDK2 P24941 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GAA P10253 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
SCHEMBL20037623 0.86 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL20037755 0.78 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL20255231 0.78 ALDH1A1 (0.52) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL2352584 0.76 MEN1 (0.56) SMN1; SMN2MEN1KMT2AMAPTPTPN1
SCHEMBL18291269 0.75 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL16569266 0.75 POLB (0.47) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL21437187 0.75 MEN1 (0.63) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL14329107 0.74 L3MBTL1 (0.60) SMN1; SMN2MAPTKDM4EPTPN1NPC1
SCHEMBL17187026 0.72 RORC (0.60) —
SCHEMBL20038015 0.71 SYK (0.38) SMN1; SMN2MEN1KMT2AMAPTKDM4E

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 SMN1; SMN2 1690/4885MEN1 2609/4885KMT2A 670/4885

“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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