SCHEMBL21483573

SCHEMBL21483573

NCc1ccccc1-c1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 7/20 0.46
TP53 P04637 4/20 0.46
HSD17B10 Q99714 4/20 0.46
PKM P14618 4/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 4/20 0.46
CYP3A4 P08684 3/20 0.46
GMNN O75496 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
DPP4 P27487 2/20 0.46

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
Hydrochloric Acid SCHEMBL28782153 0.98 MEN1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8035559 0.79 RAB9A (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12853993 0.78 PTGS2 (0.57) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29987195 0.78 NPC1 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL30302756 0.77 NPC1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21481483 0.77 DPP4 (0.41) POLBALDH1A1HSD17B10HPGDCYP3A4
Bromide SCHEMBL20502170 0.77 PTGS2 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL23381742 0.76 NOS3 (0.38) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6483611 0.76 NPC1 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4005894 0.73 DPP4 (0.41) RAB9AKMT2ASMN1; SMN2MAPTPOLB

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-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE LEAD DISCOVERY CENTER GMBH (DE) 2021-05-20 US disclosed
WO-2019197549-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE QURIENT CO., LTD. (KR) 2019-10-17 WO disclosed
CN-100357302-C Phosphorescent compound and element comprising same UNIVERSAL DISPLAY CORP (US) 2007-12-26 CN disclosed
CN-1589307-A Phosphorescent compounds and devices comprising the same UNIVERSAL DISPLAY CORP (US) 2005-03-02 CN 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-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE CDK1, CDK2, CDK15 NPC1 3927/4885RAB9A 4072/4885MEN1 3650/4885

“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.