SCHEMBL16202095

SCHEMBL16202095

Cc1ncn(-c2cc(Cl)ccc2C)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.43
JAK2 O60674 1/20 0.42
NPSR1 Q6W5P4 1/20 0.39
KCNH2 Q12809 1/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.37
RPS6KB1 P23443 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MCOLN3 Q8TDD5 1/20 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
SCHEMBL16202006 0.86 HTT (0.42) HCAR1JAK2NPSR1KCNH2TP53
SCHEMBL16201997 0.86 MAPK14 (0.40) HCAR1KCNH2ALDH1A1LMNACYP3A4
SCHEMBL16201998 0.83 KCNH2 (0.43) HCAR1NPSR1KCNH2ALDH1A1LMNA
SCHEMBL30725597 0.83 KCNH2 (0.43) HCAR1NPSR1KCNH2ALDH1A1LMNA
SCHEMBL16202003 0.82 HSD17B10 (0.42) HCAR1NPSR1TP53ALDH1A1LMNA
SCHEMBL31284563 0.79 ALDH1A1 (0.49) TP53ALDH1A1LMNACYP3A4MAPT
SCHEMBL1956778 0.76 ERN1 (0.40) HCAR1NPSR1KCNH2ALDH1A1LMNA
SCHEMBL16201996 0.74 FLT3 (0.44) HCAR1ALDH1A1LMNAMAPTMEN1
SCHEMBL16202009 0.74 NOTUM (0.46) NPSR1KCNH2MEN1KMT2A
SCHEMBL12589923 0.74 ALDH1A1 (0.53) HCAR1JAK2NPSR1ALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (4 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 HCAR1 1947/4885JAK2 4024/4885NPSR1 1862/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 HCAR1 1979/4885JAK2 4051/4885NPSR1 1877/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 HCAR1 1979/4885JAK2 4051/4885NPSR1 1877/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB HCAR1 2965/4885JAK2 3576/4885NPSR1 2595/4885

“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.