SCHEMBL16202022

SCHEMBL16202022

Cc1nc(C)n(-c2cccc(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
ALPG P10696 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 3/20 0.46
MAPK1 P28482 1/20 0.46
MPO P05164 1/20 0.46
PKM P14618 1/20 0.45
GRM1 Q13255 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MEN1 O00255 1/20 0.44
PRNP P04156 1/20 0.44
KDM4E B2RXH2 2/20 0.43
RXRA P19793 1/20 0.43

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
SCHEMBL14276775 0.86 GAA (0.48) GAAALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL10360358 0.83 GAA (0.49) GAAALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL20320554 0.81 PKM (0.44) GAAALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL15362663 0.80 HTT (0.64) GAAALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL20320330 0.80 SMN1; SMN2 (0.51) GAAALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL19435110 0.79 DCTPP1 (0.43) ALDH1A1NPSR1KMT2AMAPK1MEN1
SCHEMBL20320623 0.78 KMT2A (0.53) GAAALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL18136489 0.77 SMN1; SMN2 (0.46) GAAALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3840217 0.76 HTT (0.40) GAAALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL15801272 0.76 CYP1A2 (0.52) GAAALDH1A1LMNASMN1; SMN2MAPT

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 8 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
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 US 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 (6 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 GAA 985/4885ALDH1A1 201/4885LMNA 3862/4885
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 GAA 244/4885ALDH1A1 2106/4885LMNA 4479/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 GAA 192/4885ALDH1A1 3309/4885LMNA 4670/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 GAA 192/4885ALDH1A1 3309/4885LMNA 4670/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB GAA 633/4885ALDH1A1 2278/4885LMNA 3613/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB GAA 633/4885ALDH1A1 2278/4885LMNA 3613/4885

“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.