SCHEMBL12922015

SCHEMBL12922015

NC(=O)c1nnc(CC2CCCCC2)c2cc(-c3ccc(Cl)cc3)sc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.56
IKBKB O14920 2/20 0.39
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 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
SCHEMBL12922023 0.99 CHEK1 (0.57) CHEK1IKBKBMEN1TSHRHTT
SCHEMBL12922027 0.91 CHEK1 (0.46) CHEK1
SCHEMBL8847235 0.90 CHEK1 (0.59) CHEK1IKBKB
SCHEMBL14997873 0.90 CHEK1 (0.52) CHEK1IKBKB
SCHEMBL29900119 0.89 CHEK1 (0.52) CHEK1IKBKB
SCHEMBL4343193 0.89 CHEK1 (0.52) CHEK1IKBKB
Hydrochloric Acid SCHEMBL27747350 0.89 CHEK1 (0.58) CHEK1IKBKB
SCHEMBL12948547 0.89 CHEK1 (0.51) CHEK1IKBKBMCHR1
SCHEMBL29900120 0.89 CHEK1 (0.68) CHEK1
SCHEMBL29900038 0.89 CHEK1 (0.68) CHEK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249154-B2 Compounds and therapeutic use thereof for protein kinase inhibition WU ZHANGGUI (US) 2016-02-02 US disclosed
US-8962626-B2 Thienopyridazine compounds, their preparations, pharmaceutical compositions and uses ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2015-02-24 US disclosed
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION WU ZHANGGUI (US) 2013-06-06 US disclosed
US-20110009415-A1 Thienopyridazine Compounds, Their Preparations, Pharmaceutical Compositions And Uses WU, ZHANGGUI (CN) 2011-01-13 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 (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-20110009415-A1 Thienopyridazine Compounds, Their Preparations, Pharmaceutical Compositions And Uses CYP3A5, ABCC5, DPYD CHEK1 2344/4885IKBKB 2148/4885MEN1 1290/4885
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 CHEK1 2/4885IKBKB 704/4885MEN1 2154/4885

“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.