SCHEMBL14270969

SCHEMBL14270969

CC(C)n1ncc(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ AHR P35869 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ ATP1A1 P05023 3/20 0.34
▸ ATP1B1 P05026 3/20 0.34

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
SCHEMBL30435192 0.85 KMT2A (0.40) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL30434788 0.85 KMT2A (0.40) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL11183619 0.84 KMT2A (0.39) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL25083052 0.78 PDE2A (0.41) HPGDKDM4EALDH1A1HSD17B10
SCHEMBL28101592 0.76 L3MBTL1 (0.36) KMT2ARAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL30434613 0.75 NPC1 (0.35) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL14294672 0.74 CHRM2 (0.45) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL7918782 0.74 KMT2A (0.52) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL13222027 0.71 RECQL (0.43) KMT2AMEN1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL28883975 0.71 KMT2A (0.41) KMT2AMEN1RAB9ASMN1; SMN2NPC1

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-11718600-B2 1,2,3-triazole inhibitors of P97 AAA ATPase activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-08-08 — — US disclosed
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-02-14 — — 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 (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-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC KMT2A 2796/4885MEN1 4318/4885RAB9A 3089/4885
US-11718600-B2 1,2,3-triazole inhibitors of P97 AAA ATPase activity ATAD3B, ATAD3A, PSMG3 KMT2A 2849/4885MEN1 3629/4885RAB9A 1405/4885

“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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