SCHEMBL12921997

SCHEMBL12921997

NC(=O)c1nnc(Cc2cccnc2)c2cc(-c3ccc(F)cc3)sc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.47
SCN9A Q15858 1/20 0.39
CYP3A4 P08684 3/20 0.38
IKBKB O14920 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CHUK O15111 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.36
CHEK1 O14757 2/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL29900121 0.90 KDM4E (0.39) GRM2CYP3A4CYP2C19CYP1A2CHEK1
SCHEMBL29900031 0.90 CHEK1 (0.46) GRM2CYP3A4IKBKBCYP2C9CYP2C19
SCHEMBL12921999 0.90 KDM4E (0.39) GRM2CYP3A4CYP2C19CYP1A2CHEK1
SCHEMBL14038877 0.90 JAK2 (0.41) GRM2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL12921998 0.90 CHEK1 (0.46) GRM2CYP3A4IKBKBCYP2C9CYP2C19
SCHEMBL8834591 0.82 IKBKB (0.39) CYP3A4IKBKBCYP2C9CYP2C19CHUK
SCHEMBL12948558 0.81 CHEK1 (0.39) CYP3A4IKBKBCYP2C9CYP2C19CHUK
SCHEMBL8847412 0.81 CHEK1 (0.39) CYP3A4IKBKBCYP2C9CYP2C19CHUK
SCHEMBL14038900 0.80 JAK2 (0.47) CYP3A4CYP2C9CYP2C19CYP1A2GAA
SCHEMBL12922002 0.79 FLT1 (0.45) CYP3A4CYP2C9CYP2C19CYP1A2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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 GRM2 3919/4885SCN9A 1100/4885CYP3A4 15/4885
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 GRM2 2403/4885SCN9A 4314/4885CYP3A4 4807/4885

“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.