SCHEMBL20320450

SCHEMBL20320450

Cc1nc(C(C)(C)C)n(-c2ccccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ FLT3 P36888 4/20 0.36
▸ IRAK4 Q9NWZ3 2/20 0.36

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
SCHEMBL20320454 0.86 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1RAB9AALDH1A1
SCHEMBL20320460 0.80 MAPK10 (0.46) PDE10AMAPTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL18134386 0.76 ATM (0.44) PDE10AMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL22304735 0.71 MAPT (0.48) MAPTSMN1; SMN2CNR1CNR2L3MBTL1
SCHEMBL16768793 0.70 MAPK14 (0.49) MAPTCNR1CNR2L3MBTL1RAB9A
SCHEMBL20320458 0.70 CYP2A6 (0.43) MAPTSMN1; SMN2CNR1CNR2RAB9A
SCHEMBL14231227 0.69 MAPT (0.52) MAPTSMN1; SMN2CNR1CNR2L3MBTL1
SCHEMBL10384675 0.67 ALDH1A1 (0.46) MAPTSMN1; SMN2L3MBTL1RAB9AALDH1A1
SCHEMBL731856 0.67 MEN1 (0.50) MAPTSMN1; SMN2L3MBTL1RAB9AALDH1A1
SCHEMBL20320550 0.67 POLB (0.41) MAPTSMN1; SMN2CNR1CNR2L3MBTL1

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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 — — US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 — — 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS PDE10A 1546/4885MAPT 3730/4885SMN1; SMN2 4626/4885

“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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