SCHEMBL17197348

SCHEMBL17197348

COc1ccc(N)c2c1CN(C(C)=O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
ADRA1A P35348 1/20 0.37
QDPR P09417 1/20 0.37
ABHD6 Q9BV23 1/20 0.36
AURKA O14965 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
IDO1 P14902 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
PKM P14618 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL17197288 0.88 NOTUM (0.46) NOTUMALDH1A1LMNAQDPRABHD6
SCHEMBL17197350 0.76 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1KDM4EHPGD
SCHEMBL17197261 0.75 NOTUM (0.46) NOTUMALDH1A1LMNAABHD6AURKA
SCHEMBL14067231 0.74 ABHD6 (0.61) NOTUMABHD6
SCHEMBL16284218 0.73 NOTUM (0.47) NOTUMALDH1A1LMNAKDM4EHPGD
SCHEMBL17197346 0.72 NOTUM (0.46) NOTUMALDH1A1LMNAHTTL3MBTL1
SCHEMBL17197287 0.69 BAZ2B (0.49) NOTUMALDH1A1LMNAHPGDBAZ2B
SCHEMBL31511949 0.69 ADRA1A (0.48) ALDH1A1LMNAHTTL3MBTL1GAA
SCHEMBL17197369 0.69 DRD1 (0.45)
SCHEMBL17197266 0.69 NOTUM (0.48) NOTUMLMNABAZ2BEP300

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-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
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 NOTUM 652/4885ALDH1A1 2257/4885LMNA 4110/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 NOTUM 652/4885ALDH1A1 2257/4885LMNA 4110/4885

“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.