SCHEMBL21484259

SCHEMBL21484259

NCc1ccccc1-c1nccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ DPP4 P27487 3/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ PLAU P00749 2/20 0.46
▸ NOS3 P29474 2/20 0.46
▸ NOS1 P29475 2/20 0.46
▸ NOS2 P35228 2/20 0.46
▸ F12 P00748 1/20 0.46
▸ NCF1 P14598 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HTR1A P08908 1/20 0.42

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
SCHEMBL27997617 0.85 MAPT (0.46) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL25794443 0.83 NPC1 (0.49) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL21481997 0.83 DPP4 (0.42) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
Bromide SCHEMBL8857663 0.82 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL26646435 0.81 CYP2A6 (0.43) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL6310882 0.79 LOXL2 (0.46) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL158912 0.78 BCHE (0.58) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL29986041 0.78 BCHE (0.58) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL28800233 0.77 PLAU (0.55) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL20237396 0.77 BCHE (0.57) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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 5 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-100375749-C Luminescence device and display apparatus CANON KK (JP) 2008-03-19 — — CN disclosed
CN-1285601-C Light emitting device and display CANON KK (JP) 2006-11-22 — — CN disclosed
CN-1781925-A Luminescence device and display apparatus CANON KK (JP) 2006-06-07 — — 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 4072/4885MAPT 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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