SCHEMBL21484056

SCHEMBL21484056

NCc1ccccc1-n1cc2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
BACE1 P56817 1/20 0.35
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
POLB P06746 1/20 0.33
PDE10A Q9Y233 1/20 0.33
NPBWR1 P48145 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CACNA1D Q01668 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
SCHEMBL16648786 0.77 DDR1 (0.39) BACE1POLBPDE10AMEN1KMT2A
SCHEMBL16648948 0.76 DDR1 (0.47) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL30332214 0.74 PDE9A (0.41) NOTUMPDE10AMAPTALDH1A1PKM
SCHEMBL30607539 0.73 AOC1 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16870923 0.70 DDR1 (0.41) PDE10A
SCHEMBL24352878 0.68 NPC1 (0.41) POLBMAPTNPC1RAB9AKDM4E
SCHEMBL21657749 0.68 PTGES (0.39) POLBMEN1KMT2ALMNAMAPT
SCHEMBL22946633 0.67 KDM4E (0.56) BACE1PDE10ANPBWR1MEN1KMT2A
SCHEMBL21481493 0.66 PARP1 (0.42) ALDH1A1CYP3A4
SCHEMBL13173642 0.66 MAOB (0.38) BACE1PDE10AMEN1KMT2ALMNA

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-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

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 NOTUM 3139/4885BACE1 3075/4885ATP4A 2766/4885

“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.