SCHEMBL16202016

SCHEMBL16202016

Cc1ncn(-c2cccc(-c3ccccc3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
ALDH1A1 P00352 2/20 0.41
FAAH O00519 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
MGLL Q99685 1/20 0.41
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
GRM5 P41594 2/20 0.40
CYP3A4 P08684 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL7044640 0.84 HPGD (0.49) MAPK10ALDH1A1PSEN1PSEN2APH1B
SCHEMBL14294797 0.82 GRM5 (0.47) MAPK8MAPK10ALDH1A1GRM5HTR1A
SCHEMBL16202014 0.81 ALDH1A1 (0.45) ALDH1A1HSP90AA1MGLLCYP11B1CYP11B2
SCHEMBL25532530 0.79 MGLL (0.45) MAPK8MAPK10ALDH1A1HTTMGLL
SCHEMBL21863282 0.78 KEAP1 (0.47) FAAHMGLLKMT2A
SCHEMBL16202012 0.78 NOTUM (0.47) ALDH1A1PKMHTTMGLLNPC1
SCHEMBL7127572 0.78 MAPT (0.49) MAPK8MAPK10ALDH1A1PSEN1PSEN2
SCHEMBL21863285 0.77 NOTUM (0.51) ALDH1A1PKMHTTMGLLNPC1
SCHEMBL21819201 0.76 ALDH1A1 (0.54) ALDH1A1PKMMAPTTP53SMN1; SMN2
SCHEMBL31133322 0.76 ALDH1A1 (0.54) ALDH1A1PKMMAPTTP53SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (5 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 MAPK8 2565/4885MAPK10 4384/4885ALDH1A1 2106/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 MAPK8 2486/4885MAPK10 4393/4885ALDH1A1 3309/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 MAPK8 2486/4885MAPK10 4393/4885ALDH1A1 3309/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB MAPK8 3220/4885MAPK10 4416/4885ALDH1A1 2278/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB MAPK8 3220/4885MAPK10 4416/4885ALDH1A1 2278/4885

“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.