SCHEMBL21938544

SCHEMBL21938544

CN1C2=C(C=CC2)C(=O)Nc2cnc(Cl)nc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 4/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ JUN P05412 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31

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
SCHEMBL23219322 0.77 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL10098791 0.69 TNK2 (0.56) TNK2
SCHEMBL22658895 0.68 PTK2 (0.43) TNK2SMN1; SMN2JUNNFKB1NFKB2
SCHEMBL29517494 0.68 PTK2 (0.43) TNK2SMN1; SMN2JUNNFKB1NFKB2
SCHEMBL29517238 0.68 PTK2 (0.44) TNK2
SCHEMBL31426004 0.67 CRBN (0.40) SMN1; SMN2
SCHEMBL19436609 0.67 TNK2 (0.51) TNK2
SCHEMBL22658690 0.65 PTK2 (0.34) —
SCHEMBL22658574 0.65 PTK2 (0.34) —
SCHEMBL29517445 0.65 PTK2 (0.34) —

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-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF Anhui New Star Pharmaceutical Development Co., Ltd . (CN) 2020-04-16 — — 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-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF MST1, STK11, MSTN TNK2 125/4885SMN1; SMN2 517/4885JUN 2047/4885

“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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