Sugi Predict

Sugi Predict / Compounds / SCHEMBL3313409

SCHEMBL3313409

SCHEMBL3313409

COc1cc(N2CCN(C(C)=O)CC2)c(C)cc1N

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ ACHE P22303 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ CASP6 P55212 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ SMPD3 Q9NY59 1/20 0.43
▸ NCF1 P14598 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TGFBR1 P36897 1/20 0.41
▸ ACVR1 Q04771 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL3313821 0.89 ACHE (0.46) ALDH1A1LMNAACHEBACE1CASP6
SCHEMBL3315381 0.85 ALDH1A1 (0.49) ALDH1A1LMNAHTTACHEBACE1
SCHEMBL15754862 0.84 SMARCA2 (0.48) ALDH1A1LMNASMN1; SMN2HTTSMPD3
SCHEMBL3313613 0.82 LMNA (0.55) ALDH1A1LMNASMN1; SMN2HTTACHE
SCHEMBL29508932 0.81 DRD2 (0.50) ALDH1A1HTTGFERHTR1AHTR1D
SCHEMBL17164753 0.81 DRD2 (0.50) ALDH1A1HTTGFERHTR1AHTR1D
SCHEMBL3312550 0.79 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL310238 0.78 NPSR1 (0.51) ALDH1A1LMNASMN1; SMN2HTTGFER
SCHEMBL2205832 0.77 TGFBR1 (0.39) GFERTGFBR1ACVR1USP2
SCHEMBL24179133 0.77 MAPT (0.47) ALDH1A1LMNASMN1; SMN2HTTNPSR1

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 7 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
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 — — 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 (3 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 ALDH1A1 2257/4885LMNA 4110/4885SMN1; SMN2 4028/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 ALDH1A1 2257/4885LMNA 4110/4885SMN1; SMN2 4028/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS ALDH1A1 649/4885LMNA 3341/4885SMN1; SMN2 1509/4885

“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.