SCHEMBL21246448

SCHEMBL21246448

CCc1ccc(C(C)(C)C#N)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.43
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RORC P51449 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
LRRK2 Q5S007 1/20 0.33
CCR9 P51686 1/20 0.33
MTOR P42345 1/20 0.33
CA2 P00918 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL21503681 0.81 CHRNA7 (0.40) CHRNA7KDM4ERORCSMN1; SMN2HDAC6
SCHEMBL21246246 0.81 CYP2A6 (0.37) CYP2A6KDM4EL3MBTL1NPC1RAB9A
SCHEMBL30802846 0.79 KDM4E (0.43) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL1755679 0.79 KDM4E (0.43) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL15986681 0.76 L3MBTL1 (0.41) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL31718069 0.76 CHRNA7 (0.46) CHRNA7CYP2A6KDM4ENPC1RAB9A
SCHEMBL12266677 0.76 KDM4E (0.41) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL16368521 0.76 KDM4E (0.41) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10272809 0.76 PDE10A (0.46) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL12303328 0.76 KDM4E (0.41) KDM4EL3MBTL1NPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
EP-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
WO-2019149657-A1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-08 WO 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 (2 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP CHRNA7 4505/4885CYP2A6 1772/4885KDM4E 730/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP CHRNA7 4505/4885CYP2A6 1772/4885KDM4E 730/4885

“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.