SCHEMBL19473758

SCHEMBL19473758

N#Cc1cnc(C(=O)NC2CCNCC2)cc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 6/20 0.42
▸ KCNJ1 P48048 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ ACKR3 P25106 1/20 0.39
▸ AXL P30530 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.37
▸ AR P10275 3/20 0.37
▸ FGFR4 P22455 1/20 0.36
▸ HTR4 Q13639 1/20 0.36
▸ UTS2R Q9UKP6 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
Trifluoroacetic Acid SCHEMBL19457704 0.94 CDK4 (0.39) SMYD3KCNJ1KCNH2KDM1AACKR3
SCHEMBL19457714 0.85 KCNJ1 (0.49) SMYD3KCNJ1KCNH2KDM1AFLT3
SCHEMBL19473772 0.84 KCNJ1 (0.41) SMYD3KCNJ1KCNH2KDM1AACKR3
SCHEMBL19473751 0.83 KCNJ1 (0.52) SMYD3KCNJ1KCNH2KDM1AAXL
Trifluoroacetic Acid SCHEMBL19639842 0.83 MEN1 (0.42) —
SCHEMBL15760960 0.81 SMYD3 (0.46) SMYD3KCNJ1KDM1AACKR3AXL
Trifluoroacetic Acid SCHEMBL19457877 0.80 KCNJ1 (0.48) SMYD3KCNJ1KCNH2KDM1AFLT3
Hydrochloric Acid SCHEMBL15757869 0.80 SMYD3 (0.47) SMYD3KCNJ1KCNH2KDM1AAXL
SCHEMBL19473757 0.80 USP30 (0.46) KCNJ1KCNH2
Trifluoroacetic Acid SCHEMBL19639843 0.79 SCN9A (0.40) SMYD3KCNJ1KCNH2KDM1AACKR3

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
EP-3231802-B1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2021-05-05 — — EP disclosed
US-10759788-B2 Pharmaceutical uses of pyridine carboxamide derivatives JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-09-01 — — US disclosed
US-10442794-B2 Processes for preparing pyridine carboxamide derivatives JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-10-15 — — US disclosed
US-10364234-B2 Pyridinecarboxamide derivatives, preparation method thereof and pharmaceutical uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-07-30 — — US disclosed
US-20190152958-A1 PHARMACEUTICAL USES OF PYRIDINE CARBOXAMIDE DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-05-23 — — US disclosed
US-20190152959-A1 PROCESSES FOR PREPARING PYRIDINE CARBOXAMIDE DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-05-23 — — US disclosed
US-20170342059-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-11-30 — — US disclosed
US-20170342059-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-11-30 — — US disclosed
EP-3231802-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2017-10-18 — — EP 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 (6 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-20190152958-A1 PHARMACEUTICAL USES OF PYRIDINE CARBOXAMIDE DERIVATIVES CASK, PDXK, NADK SMYD3 4033/4885KCNJ1 9/4885KCNH2 38/4885
US-20190152959-A1 PROCESSES FOR PREPARING PYRIDINE CARBOXAMIDE DERIVATIVES CPS1, PDXK, SDHA SMYD3 3617/4885KCNJ1 2381/4885KCNH2 1134/4885
US-10442794-B2 Processes for preparing pyridine carboxamide derivatives CPS1, PDXK, SDHA SMYD3 3617/4885KCNJ1 2381/4885KCNH2 1134/4885
US-20170342059-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USES THEREOF KCNK2, KCNJ2, KCNK5 SMYD3 3771/4885KCNJ1 7/4885KCNH2 15/4885
US-10364234-B2 Pyridinecarboxamide derivatives, preparation method thereof and pharmaceutical uses thereof KCNK2, KCNJ2, KCNK5 SMYD3 3771/4885KCNJ1 7/4885KCNH2 15/4885
US-10759788-B2 Pharmaceutical uses of pyridine carboxamide derivatives CASK, PDXK, NADK SMYD3 4033/4885KCNJ1 9/4885KCNH2 38/4885

“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.

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