SCHEMBL17718026

SCHEMBL17718026

CSc1ncc(C=O)c(N(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ HTT P42858 3/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LMNA P02545 4/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ AHR P35869 1/20 0.31
▸ TERT O14746 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL16120608 0.84 MEN1 (0.33) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL19553576 0.81 PRKCH (0.32) MEN1KMT2A
SCHEMBL10811677 0.78 AHR (0.43) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL17718027 0.76 KDM4E (0.35) ALDH1A1KDM4ESMN1; SMN2HTTKMT2A
SCHEMBL1353824 0.75 MEN1 (0.45) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4770466 0.75 MEN1 (0.38) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL1168107 0.75 MEN1 (0.38) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL16120477 0.74 TP53 (0.35) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL1521592 0.74 LMNA (0.40) ALDH1A1KDM4ESMN1; SMN2HTTMEN1
SCHEMBL20980332 0.72 MEN1 (0.36) ALDH1A1KDM4ESMN1; SMN2HTTMEN1

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-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 — — US disclosed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 — — 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-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS DCK, TK1, DTYMK ALDH1A1 2846/4885KDM4E 1444/4885GAA 1464/4885

“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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