SCHEMBL16201997

SCHEMBL16201997

Cc1ncn(-c2ccc(Cl)cc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.40
KCNH2 Q12809 1/20 0.39
OPRM1 P35372 1/20 0.37
LMNA P02545 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
HCAR1 Q9BXC0 1/20 0.35
AKR1C3 P42330 1/20 0.35
MAPK11 Q15759 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HCRTR1 O43613 1/20 0.34
CYP3A4 P08684 2/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL16202095 0.86 HCAR1 (0.43) KCNH2LMNAHCAR1ALDH1A1CYP3A4
SCHEMBL16201998 0.86 KCNH2 (0.43) KCNH2OPRM1LMNAHCAR1ALDH1A1
SCHEMBL30725597 0.86 KCNH2 (0.43) KCNH2OPRM1LMNAHCAR1ALDH1A1
SCHEMBL11787241 0.83 MAPK14 (0.39) MAPK14KCNH2OPRM1LMNACDK4
SCHEMBL16202006 0.83 HTT (0.42) KCNH2OPRM1LMNACDK4CCND1
SCHEMBL1956778 0.80 ERN1 (0.40) MAPK14KCNH2LMNAHCAR1ALDH1A1
SCHEMBL17720567 0.76 POLB (0.41) KCNH2LMNAHCRTR1PDE4BGABRG2
SCHEMBL16202009 0.74 NOTUM (0.46) KCNH2KDM4E
SCHEMBL16201996 0.74 FLT3 (0.44) LMNAHCAR1ALDH1A1RXRAGRIN1
SCHEMBL16983104 0.74 MAPK14 (0.41) MAPK14OPRM1LMNACDK4CCND1

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 MAPK14 3142/4885KCNH2 3747/4885OPRM1 4732/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 MAPK14 3371/4885KCNH2 4214/4885OPRM1 4754/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 MAPK14 3371/4885KCNH2 4214/4885OPRM1 4754/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB MAPK14 3910/4885KCNH2 1781/4885OPRM1 4417/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB MAPK14 3910/4885KCNH2 1781/4885OPRM1 4417/4885

“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.