SCHEMBL22711583

SCHEMBL22711583

O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCC(F)C2)c(-c2cnccn2)c1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.70
▸ KCNH2 Q12809 2/20 0.67
▸ BCR P11274 1/20 0.65
▸ CRBN Q96SW2 1/20 0.65

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
SCHEMBL21477626 1.00 ABL1 (0.70) ABL1KCNH2BCRCRBN
Bromide SCHEMBL28902250 0.99 ABL1 (0.69) ABL1KCNH2BCRCRBN
Bromide SCHEMBL30091102 0.99 ABL1 (0.69) ABL1KCNH2BCRCRBN
Bromide SCHEMBL28902248 0.99 ABL1 (0.69) ABL1KCNH2BCRCRBN
Hydrochloric Acid SCHEMBL28902253 0.99 ABL1 (0.69) ABL1KCNH2BCRCRBN
Hydrochloric Acid SCHEMBL30091086 0.99 ABL1 (0.69) ABL1KCNH2BCRCRBN
Hydrochloric Acid SCHEMBL28902254 0.99 ABL1 (0.69) ABL1KCNH2BCRCRBN
SCHEMBL28902246 0.96 ABL1 (0.66) ABL1KCNH2BCRCRBN
SCHEMBL30091177 0.96 ABL1 (0.66) ABL1KCNH2BCRCRBN
SCHEMBL21477576 0.94 ABL1 (0.80) ABL1KCNH2BCRCRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304171-A Solid forms of pyrazine substituted nicotinamide, preparation and use thereof 深圳市塔吉瑞生物医药有限公司 2023-12-29 — — CN disclosed
CN-117304171-A Solid forms of pyrazine substituted nicotinamide, preparation and use thereof 深圳市塔吉瑞生物医药有限公司 2023-12-29 — — CN disclosed
US-20230322717-A1 SOLID FORM OF PYRAZINE SUBSTITUTED NICOTINAMIDE, AND PREPARATION AND USE THEREOF SHENZHEN TARGETRX, INC. (CN) 2023-10-12 — — US disclosed
US-20230322717-A1 SOLID FORM OF PYRAZINE SUBSTITUTED NICOTINAMIDE, AND PREPARATION AND USE THEREOF SHENZHEN TARGETRX, INC. (CN) 2023-10-12 — — US disclosed
CN-115413277-B Solid forms of pyrazine substituted nicotinamide, preparation and use thereof 深圳市塔吉瑞生物医药有限公司 2023-08-01 — — CN disclosed
CN-115413277-B Solid forms of pyrazine substituted nicotinamide, preparation and use thereof 深圳市塔吉瑞生物医药有限公司 2023-08-01 — — CN disclosed
CN-115413277-A Solid forms of pyrazine-substituted nicotinamide, their preparation and use 深圳市塔吉瑞生物医药有限公司 2022-11-29 — — CN disclosed
CN-115413277-A Solid forms of pyrazine-substituted nicotinamide, their preparation and use 深圳市塔吉瑞生物医药有限公司 2022-11-29 — — CN disclosed
WO-2021213380-A1 SOLID FORM OF PYRAZINE SUBSTITUTED NICOTINAMIDE, AND PREPARATION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 (CN) 2021-10-28 — — WO disclosed
US-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2021-08-17 — — US disclosed
CN-110343092-B (hetero) aryl amides for inhibiting protein kinase activity 深圳市塔吉瑞生物医药有限公司 2021-03-02 — — CN disclosed
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2020-12-03 — — 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 (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-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity MAP2K2, MAP2K5, MAP2K4 ABL1 45/4885KCNH2 946/4885BCR 941/4885
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY MAP2K2, MAP2K4, MAP2K5 ABL1 40/4885KCNH2 974/4885BCR 947/4885
US-20230322717-A1 SOLID FORM OF PYRAZINE SUBSTITUTED NICOTINAMIDE, AND PREPARATION AND USE THEREOF NAMPT, NADK, NNMT ABL1 11/4885KCNH2 2391/4885BCR 6/4885

“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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