SCHEMBL17816262

SCHEMBL17816262

Cc1cc(C(C)(C)C)nnc1-c1cnn(C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.38
PIM1 P11309 3/20 0.38
AXL P30530 8/20 0.37
LRRK2 Q5S007 1/20 0.37
CNR2 P34972 2/20 0.36
KDR P35968 3/20 0.34
EPHB4 P54760 1/20 0.34
TEK Q02763 1/20 0.34
TTK P33981 2/20 0.34
NTRK1 P04629 2/20 0.34
RET P07949 2/20 0.34
EPHB2 P29323 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 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
SCHEMBL20122616 0.85 JAK2 (0.40) KDM5BPIM1AXLCNR2KDR
SCHEMBL17816457 0.80 PIM1 (0.41) PIM1AXLLRRK2TTKCCNA2
SCHEMBL19531827 0.70 KDM5A (0.42) KDM5BLRRK2KDRTTKNTRK1
SCHEMBL16701134 0.69 AXL (0.42) PIM1AXLLRRK2KDREPHB4
SCHEMBL26242520 0.68 PIM1 (0.39) PIM1AXLLRRK2KDREPHB4
SCHEMBL15074148 0.68 AXL (0.48) PIM1AXLLRRK2TTKCCNA2
SCHEMBL16561261 0.67 JAK2 (0.44) KDM5BPIM1AXLLRRK2KDR
SCHEMBL16979649 0.67 PIK3CD (0.43) PIM1AXLLRRK2TTKCCNA2
SCHEMBL10220747 0.67 DYRK1A (0.43) LRRK2TTKCCNA2CDK2AURKA
SCHEMBL15889313 0.66 LRRK2 (0.46) LRRK2KDREPHB4TEKNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US 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 KDM5B 533/4885PIM1 1608/4885AXL 3997/4885

“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.