SCHEMBL17197366

SCHEMBL17197366

COc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ccc1NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
GRM5 P41594 3/20 0.48
GRM1 Q13255 3/20 0.48
HRH3 Q9Y5N1 1/20 0.46
LNPEP Q9UIQ6 1/20 0.44
QDPR P09417 1/20 0.44
PDK4 Q16654 1/20 0.43
CDK7 P50613 1/20 0.43
CDK13 Q14004 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
LCK P06239 1/20 0.42
SRC P12931 1/20 0.42
KDR P35968 1/20 0.42
LIMK1 P53667 1/20 0.42
LIMK2 P53671 1/20 0.42
TEK Q02763 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BTK Q06187 2/20 0.41

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
SCHEMBL1781247 0.93 LNPEP (0.48) NAMPTGRM5GRM1HRH3LNPEP
SCHEMBL12479633 0.90 NAMPT (0.52) NAMPTGRM5GRM1HRH3LNPEP
SCHEMBL14648947 0.89 NAMPT (0.51) NAMPTGRM5GRM1HRH3LNPEP
SCHEMBL3317600 0.87 NAMPT (0.54) NAMPTGRM5GRM1QDPRPDK4
SCHEMBL5473100 0.86 NAMPT (0.65) NAMPTGRM5GRM1PDK4ALDH1A1
SCHEMBL12479072 0.82 QDPR (0.52) NAMPTGRM5GRM1QDPRCDK7
SCHEMBL3988084 0.80 PDK4 (0.48) NAMPTGRM5GRM1HRH3PDK4
SCHEMBL5508551 0.80 NAMPT (0.51) NAMPTGRM5GRM1LNPEPPDK4
SCHEMBL17197481 0.80 HRH3 (0.49) HRH3QDPRLCKSRCKDR
SCHEMBL28698221 0.80 NAMPT (0.52) NAMPTGRM5GRM1LNPEPPDK4

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-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
WO-2015158310-A1 TYROSINE KINASE INHIBITOR AND USES THEREOF 山东轩竹医药科技有限公司 2015-10-22 WO 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-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 NAMPT 2625/4885GRM5 2439/4885GRM1 3583/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 NAMPT 2625/4885GRM5 2439/4885GRM1 3583/4885

“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.