SCHEMBL17816457

SCHEMBL17816457

Cc1cc(C)c(-c2cnn(C)c2)nn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.41
AXL P30530 10/20 0.40
ADORA2A P29274 1/20 0.37
LRRK2 Q5S007 1/20 0.37
TTK P33981 2/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
MAPT P10636 1/20 0.36
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
MAPK1 P28482 1/20 0.35
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34

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
SCHEMBL17816262 0.80 KDM5B (0.38) PIM1AXLLRRK2TTKAURKA
SCHEMBL20122616 0.76 JAK2 (0.40) PIM1AXLBAZ2BBAZ2A
SCHEMBL16701134 0.74 AXL (0.42) PIM1AXLADORA2ALRRK2TTK
SCHEMBL26242520 0.73 PIM1 (0.39) PIM1AXLADORA2ALRRK2TTK
SCHEMBL15074148 0.72 AXL (0.48) PIM1AXLADORA2ALRRK2TTK
SCHEMBL16561261 0.71 JAK2 (0.44) PIM1AXLADORA2ALRRK2TTK
SCHEMBL15984746 0.69 ERN1 (0.44) PIM1ADORA2ALRRK2TTKAURKA
SCHEMBL13209251 0.69 MAPT (0.46) MAPTSMARCA2SMARCA4MAPK1
SCHEMBL16701022 0.69 PIM1 (0.42) PIM1AXLADORA2ALRRK2TTK
SCHEMBL15074188 0.69 AXL (0.42) PIM1AXLADORA2ATTKCCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030081-B1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-08-02 EP disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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 (1 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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 PIM1 1608/4885AXL 3997/4885ADORA2A 3911/4885

“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.