SCHEMBL21484221

SCHEMBL21484221

NCc1ccccc1Oc1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NCF1 P14598 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HRH1 P35367 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ CYSLTR2 Q9NS75 1/20 0.35
▸ CYSLTR1 Q9Y271 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35

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
SCHEMBL20550751 0.84 MEN1 (0.41) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL10675894 0.78 MEN1 (0.41) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL31498821 0.76 NCF1 (0.50) MEN1KMT2AMAPTALDH1A1NCF1
SCHEMBL1131286 0.76 NCF1 (0.50) MEN1KMT2AMAPTALDH1A1NCF1
SCHEMBL28691331 0.75 MEN1 (0.44) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL10511286 0.75 HTT (0.63) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL10767713 0.75 ECE2 (0.42) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL10649068 0.75 HTT (0.42) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL1602780 0.75 HTR1B (0.44) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL27666105 0.75 SMN1; SMN2 (0.61) MEN1KMT2AMAPTHTTALDH1A1

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 MEN1 3650/4885KMT2A 1633/4885MAPT 3370/4885

“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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