Sugi Predict

Sugi Predict / Compounds / SCHEMBL17197261

SCHEMBL17197261

SCHEMBL17197261

COc1c(N)ccc2c1CN(C(C)=O)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.46
▸ AURKA O14965 2/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CCNA1 P78396 2/20 0.38
▸ BAZ2B Q9UIF8 4/20 0.37
▸ KDR P35968 1/20 0.36
▸ ABHD6 Q9BV23 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CASP6 P55212 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 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
SCHEMBL17197268 0.87 NOTUM (0.48) NOTUMBAZ2BKDRABHD6ALDH1A1
SCHEMBL17197266 0.87 NOTUM (0.48) NOTUMBAZ2BKDRLMNAMAPT
SCHEMBL16284218 0.83 NOTUM (0.47) NOTUMABHD6ALDH1A1MEN1KMT2A
SCHEMBL17197262 0.78 NOTUM (0.42) NOTUMBAZ2BALDH1A1MEN1KMT2A
SCHEMBL17197348 0.75 NOTUM (0.41) NOTUMAURKACCNA2CDK2CCNA1
SCHEMBL14067231 0.72 ABHD6 (0.61) NOTUMABHD6HSP90B1TRAP1MTNR1B
SCHEMBL15651707 0.72 PNMT (0.36) TRPV1GFERCA2CA9MAPT
SCHEMBL17197346 0.70 NOTUM (0.46) NOTUMABHD6ALDH1A1MEN1KMT2A
SCHEMBL3316445 0.69 ALDH1A1 (0.49) USP2ALDH1A1CASP6GFERMEN1
SCHEMBL14590586 0.68 ESR1 (0.57) NOTUMABHD6CA1CA2CA7

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 6 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
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 652/4885AURKA 285/4885CCNA2 3540/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 NOTUM 652/4885AURKA 285/4885CCNA2 3540/4885

“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.