SCHEMBL21483572

SCHEMBL21483572

N#Cc1ccccc1-c1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.50
RAB9A P51151 9/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 4/20 0.47
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 5/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 4/20 0.45
TP53 P04637 4/20 0.45
PKM P14618 3/20 0.45
HPGD P15428 3/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
AR P10275 4/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL8482877 0.81 KDM4E (0.47) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL22315758 0.80 AR (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12853993 0.78 PTGS2 (0.57) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8484254 0.78 KCNH2 (0.40) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL28148511 0.77 ALDH1A1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Bromide SCHEMBL20502170 0.77 PTGS2 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2408313 0.76 MEN1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8035559 0.76 RAB9A (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8809434 0.76 AR (0.50) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL8775667 0.76 GABRG2 (0.44) SMN1; SMN2ALDH1A1KDM4EGAACYP1A2

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 3 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-105026391-A Crystal form of compound used as mineralocorticoid receptor antagonist and preparation method therefor KBP BIOSCIENCES CO LTD 2015-11-04 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.