SCHEMBL16201996

SCHEMBL16201996

Cc1ncn(-c2ccccc2C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.44
GSK3B P49841 1/20 0.44
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MGLL Q99685 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
RXRA P19793 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37

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
SCHEMBL12528439 0.81 BCHE (0.40) ADORA3MAPTLMNAALDH1A1MGLL
SCHEMBL20455919 0.81 GAA (0.46) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL30725595 0.81 ADORA1 (0.47) ADORA3MAPTLMNAALDH1A1MGLL
SCHEMBL30725606 0.81 BCHE (0.40) ADORA3MAPTLMNAALDH1A1MGLL
SCHEMBL10361316 0.81 FLT3 (0.41) FLT3GSK3BADORA3ADORA2ALMNA
SCHEMBL8062086 0.78 MEN1 (0.43) MAPTALDH1A1MGLLHPGDSMN1; SMN2
SCHEMBL16202003 0.77 HSD17B10 (0.42) MAPTLMNAALDH1A1HCAR1TDP1
SCHEMBL4832417 0.77 KDM4E (0.50) MAPTLMNASMN1; SMN2TSHRKMT2A
SCHEMBL1955751 0.77 ALDH1A1 (0.41) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL14064641 0.77 NCF1 (0.39) MAPTLMNASMN1; SMN2HCAR1CYP11B1

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 FLT3 3918/4885GSK3B 3105/4885ADORA3 3305/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 FLT3 3953/4885GSK3B 2252/4885ADORA3 3035/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 FLT3 3953/4885GSK3B 2252/4885ADORA3 3035/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB FLT3 3546/4885GSK3B 1990/4885ADORA3 3503/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB FLT3 3546/4885GSK3B 1990/4885ADORA3 3503/4885

“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.