SCHEMBL1784746

SCHEMBL1784746

COc1cc(C2CCNCC2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.44
HTR2C P28335 2/20 0.42
PDE4B Q07343 3/20 0.42
FLT4 P35916 2/20 0.42
PTK2 Q05397 2/20 0.42
EGFR P00533 7/20 0.41
CAMK2D Q13557 1/20 0.41
MET P08581 1/20 0.40
CHEK1 O14757 1/20 0.40
QDPR P09417 1/20 0.40
PIK3CD O00329 1/20 0.39
ABL1 P00519 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
BACE1 P56817 1/20 0.39
PRKDC P78527 1/20 0.39
PI4KB Q9UBF8 1/20 0.39

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
SCHEMBL1781447 0.85 QDPR (0.56) ALKPDE4BFLT4PTK2EGFR
SCHEMBL1781826 0.84 HTR2C (0.47) ALKHTR2CPDE4BEGFRCAMK2D
SCHEMBL3315978 0.83 PDE4B (0.59) ALKPDE4BQDPR
SCHEMBL12479659 0.83 PDE4B (0.51) ALKPDE4BQDPR
SCHEMBL27933804 0.82 PDE4B (0.45) ALKPDE4BEGFRQDPRPIK3CD
SCHEMBL26796777 0.81 ALDH1A1 (0.43) PDE4B
SCHEMBL17197372 0.81 MEN1 (0.53) PDE4BEGFRQDPR
SCHEMBL3314367 0.81 PDE4B (0.43) PDE4BEGFRPIK3CDABL1KDR
SCHEMBL3006555 0.80 NAMPT (0.52)
SCHEMBL17197329 0.79 EGFR (0.48) ALKPDE4BEGFRCAMK2DCHEK1

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
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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 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 ALK 15/4885HTR2C 3500/4885PDE4B 1979/4885
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 ALK 2828/4885HTR2C 4708/4885PDE4B 4299/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 ALK 15/4885HTR2C 3500/4885PDE4B 1979/4885

“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.