SCHEMBL1781826

SCHEMBL1781826

COc1cc(C2CCNCC2)ccc1NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.47
PDE4B Q07343 2/20 0.46
EGFR P00533 3/20 0.46
ALK Q9UM73 3/20 0.45
TLR9 Q9NR96 2/20 0.45
TLR7 Q9NYK1 1/20 0.45
CHEK1 O14757 1/20 0.44
QDPR P09417 2/20 0.44
TLR8 Q9NR97 1/20 0.44
CAMK2D Q13557 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43

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
SCHEMBL1784746 0.84 ALK (0.44) HTR2CPDE4BEGFRALKCHEK1
SCHEMBL1784640 0.83 QDPR (0.63) PDE4BEGFRALKCHEK1QDPR
SCHEMBL16991978 0.80 HTR2C (0.48) HTR2CPDE4BALKTLR9TLR7
SCHEMBL26655031 0.79 ALDH1A1 (0.48) ALDH1A1LMNAMAPTTGFBR1ACVR1
SCHEMBL18764013 0.79 MEN1 (0.58) PDE4BEGFRQDPRPDE4APDE4C
SCHEMBL18310123 0.78 HTR2C (0.49) HTR2CPDE4BTLR9TLR7CHEK1
SCHEMBL2473309 0.78 PDE4B (0.64) HTR2CPDE4BTLR9TLR7QDPR
SCHEMBL18764021 0.77 EGFR (0.49) PDE4BEGFRTLR9TLR7CHEK1
SCHEMBL10407705 0.77 QDPR (0.66) HTR2CPDE4BQDPRALDH1A1
SCHEMBL13645913 0.77 HTR2C (0.48) HTR2CPDE4BTLR9TLR7QDPR

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-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
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP disclosed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 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 (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 HTR2C 3500/4885PDE4B 1979/4885EGFR 1/4885
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 HTR2C 4708/4885PDE4B 4299/4885EGFR 2420/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 HTR2C 3500/4885PDE4B 1979/4885EGFR 1/4885

“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.