SCHEMBL2287336

SCHEMBL2287336

Clc1cccc(Nc2nccc(-c3cnc(NCC4CCCO4)s3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46
CDK2 P24941 6/20 0.45
CDK4 P11802 2/20 0.45
CDK1 P06493 4/20 0.45
CCNT1 O60563 3/20 0.45
CCNA2 P20248 3/20 0.45
CDK9 P50750 3/20 0.45
CCNB1 P14635 2/20 0.45
CDK7 P50613 2/20 0.45
CCNH P51946 2/20 0.45
KCNH3 Q9ULD8 1/20 0.45
CCNA1 P78396 1/20 0.45
KDR P35968 1/20 0.44
CAMK2D Q13557 5/20 0.44
HTT P42858 2/20 0.43

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
SCHEMBL2285408 0.90 LMNA (0.53) MAPTCDK2CDK4CDK1CCNT1
SCHEMBL2287293 0.89 KCNH3 (0.57) MAPTCDK2CDK4CDK1CCNT1
SCHEMBL2283651 0.87 PAK4 (0.55) MAPTCDK2CDK1CCNT1CCNA2
SCHEMBL2278895 0.86 CCNT1 (0.46) ABL1BCRPRKCACDK2CDK1
SCHEMBL27741376 0.85 CDK2 (0.59) MAPTTDP1CDK2CDK4CDK1
SCHEMBL2285536 0.84 CDK2 (0.51) MAPTTDP1ABL1BCRPRKCA
SCHEMBL2284032 0.82 CDK2 (0.46) MAPTTDP1ABL1BCRPRKCA
SCHEMBL2284523 0.82 AURKA (0.50) MAPTPRKCAPRKCDCDK2CDK4
SCHEMBL2289567 0.77 SMN1; SMN2 (0.47) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL2282885 0.77 CDK1 (0.52) MAPTABL1BCRPRKCAPRKCD

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-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 US disclosed
CN-101309586-A Thiazole compounds as fungicides BAYER CROPSCIENCE AG (DE) 2008-11-19 CN 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 (2 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-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX MAPT 2565/4885TDP1 1322/4885ABL1 797/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 MAPT 2586/4885TDP1 1506/4885ABL1 732/4885

“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.