SCHEMBL8834591

SCHEMBL8834591

NC(=O)c1nnc(Cc2ccsc2)c2cc(-c3ccc(F)cc3)sc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.39
CHUK O15111 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHEK1 O14757 3/20 0.37
MAP3K8 P41279 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
JAK2 O60674 2/20 0.36
MEN1 O00255 1/20 0.36
EIF2AK2 P19525 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDPK1 O15530 1/20 0.34
LRRK2 Q5S007 2/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL12922007 0.90 CHEK1 (0.37) IKBKBCYP1A2CYP2C9CYP2C19CHEK1
SCHEMBL8827896 0.90 CHEK1 (0.47) IKBKBCHEK1MAP3K8MEN1KMT2A
SCHEMBL8835436 0.90 JAK2 (0.40) IKBKBCHEK1MAP3K8HDAC6JAK2
SCHEMBL8847412 0.83 CHEK1 (0.39) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL12948558 0.83 CHEK1 (0.39) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL12921997 0.82 GRM2 (0.47) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL14038890 0.79 JAK2 (0.46) MAP3K8JAK2MEN1KMT2AMAPT
SCHEMBL12922012 0.78 GAA (0.40) CYP1A2CYP2C9CYP2C19CHEK1MAP3K8
SCHEMBL14038901 0.78 JAK2 (0.37) MAP3K8JAK2MEN1KMT2AMAPT
SCHEMBL1496088 0.78 CHEK1 (0.45) IKBKBCHUKCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115038440-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 CN claimed
CN-115038439-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 CN claimed
CN-101481380-A Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MEDICINE CO LTD (CN) 2009-07-15 CN claimed
CN-115038440-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 CN disclosed
CN-115038439-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 CN disclosed
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-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
CN-101481380-B Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MED XINCHANG PHARM 2012-10-17 CN disclosed
EP-2241569-B1 THIENOPYRIDAZINE COMPOUNDS, THEIR PREPARATIONS, PHARMACEUTICAL COMPOSITIONS AND USES ZHEJIANG MED XINCHANG PHARM (CN) 2012-05-23 EP disclosed
US-20110009415-A1 Thienopyridazine Compounds, Their Preparations, Pharmaceutical Compositions And Uses WU, ZHANGGUI (CN) 2011-01-13 US disclosed
US-20110009415-A1 Thienopyridazine Compounds, Their Preparations, Pharmaceutical Compositions And Uses WU, ZHANGGUI (CN) 2011-01-13 US disclosed
EP-2241569-A1 THIENOPYRIDAZINE COMPOUNDS, THEIR PREPARATIONS, PHARMACEUTICAL COMPOSITIONS AND USES Zhejiang Medicine Co., Ltd. Xinchang Pharmaceutical Factory (CN) 2010-10-20 EP disclosed
CN-101481380-A Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MEDICINE CO LTD (CN) 2009-07-15 CN 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 IKBKB 2148/4885CHUK 791/4885CYP1A2 77/4885
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 IKBKB 704/4885CHUK 337/4885CYP1A2 4774/4885

“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.