SCHEMBL20550441

SCHEMBL20550441

Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(N=C(N(C)C)N(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 4/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
MAPT P10636 3/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CDK2 P24941 7/20 0.33
CDK4 P11802 6/20 0.33
CCNE1 P24864 3/20 0.33
COMT P21964 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL20550270 0.81 TNF (0.43) RAB9AKDM4EGLAGAAL3MBTL1
SCHEMBL20550439 0.81 PIK3CA (0.35) RAB9AKDM4EGLAGAAL3MBTL1
SCHEMBL20550264 0.80 KDM4E (0.38) RAB9AKDM4EGLAGAAL3MBTL1
SCHEMBL21360228 0.79 KDM4E (0.36) RAB9AKDM4EGLAGAAL3MBTL1
SCHEMBL20550443 0.78 CNR1 (0.38) RAB9AKDM4EGLAGAAL3MBTL1
SCHEMBL20550699 0.77 CDK2 (0.41) RAB9AKDM4EGLAGAAL3MBTL1
SCHEMBL20550300 0.77 CDK4 (0.58) RAB9AKDM4EGLAGAAL3MBTL1
SCHEMBL20550275 0.76 CDK2 (0.48) RAB9AKDM4EGLAGAAL3MBTL1
SCHEMBL20550287 0.75 TNF (0.42) RAB9AKDM4EGLAGAAL3MBTL1
SCHEMBL20550303 0.74 CDK2 (0.46) RAB9AKDM4EGLAGAAL3MBTL1

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
US-10414759-B2 Phenylthiazoles and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-17 US disclosed
US-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2018-11-08 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 (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-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF TPMT, TST, CLPP RAB9A 4466/4885KDM4E 1008/4885GLA 2723/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP RAB9A 4396/4885KDM4E 938/4885GLA 2663/4885

“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.