SCHEMBL26520431

SCHEMBL26520431

C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cnccn2)C1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.68
▸ KCNH2 Q12809 2/20 0.65
▸ BCR P11274 1/20 0.63
▸ CRBN Q96SW2 1/20 0.63

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 0.92 ABL1 (0.70) ABL1KCNH2BCRCRBN
SCHEMBL22711583 0.92 ABL1 (0.70) ABL1KCNH2BCRCRBN
SCHEMBL22711587 0.92 ABL1 (0.80) ABL1KCNH2BCRCRBN
SCHEMBL21477576 0.92 ABL1 (0.80) ABL1KCNH2BCRCRBN
Bromide SCHEMBL28902250 0.91 ABL1 (0.69) ABL1KCNH2BCRCRBN
Hydrochloric Acid SCHEMBL28902254 0.91 ABL1 (0.69) ABL1KCNH2BCRCRBN
Bromide SCHEMBL28902248 0.91 ABL1 (0.69) ABL1KCNH2BCRCRBN
Hydrochloric Acid SCHEMBL28902253 0.91 ABL1 (0.69) ABL1KCNH2BCRCRBN
Bromide SCHEMBL30091102 0.91 ABL1 (0.69) ABL1KCNH2BCRCRBN
Hydrochloric Acid SCHEMBL30091086 0.91 ABL1 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322717-A1 SOLID FORM OF PYRAZINE SUBSTITUTED NICOTINAMIDE, AND PREPARATION AND USE THEREOF SHENZHEN TARGETRX, INC. (CN) 2023-10-12 — — 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 (1 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-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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