SCHEMBL19461985

SCHEMBL19461985

CNc1cc(C2CC2)nc(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 4/20 0.36
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
ESR1 P03372 1/20 0.34
PDE4A P27815 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GPR39 O43194 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE10A Q9Y233 1/20 0.31
POLB P06746 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30

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
SCHEMBL21017120 0.81 NUDT1 (0.38) NUDT1NOS3NOS2PDE4AHRH4
SCHEMBL21017001 0.79 NOS3 (0.39) NUDT1NOS3NOS2HRH4NPC1
SCHEMBL1509576 0.75 MEN1 (0.44) HRH4NPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL28449793 0.74 NOS3 (0.52) NUDT1NOS3NOS2HRH4NPC1
SCHEMBL3852030 0.74 CYP17A1 (0.34) HRH4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3235047 0.74 KMT2A (0.45) NUDT1PDE4AHRH4RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9046686 0.73 MEN1 (0.42) HRH4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31530967 0.72 MAPKAPK2 (0.40) MAPTPOLB
SCHEMBL3853457 0.72 IGF1R (0.53)
SCHEMBL21016709 0.71 NUDT1 (0.32) NUDT1NOS3NOS2HRH4ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
EP-3442947-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme Inc (US) 2019-02-20 EP disclosed
CN-109153650-A Amine-substituted aryl or heteroaryl compounds as EHMT1 and EHMT2 inhibitors EPIZYME股份有限公司 2019-01-04 CN disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 NUDT1 71/4885NOS3 1274/4885NOS2 1177/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 NUDT1 71/4885NOS3 1274/4885NOS2 1177/4885

“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.