SCHEMBL16322756

SCHEMBL16322756

CN1C(=O)C(C)(C)c2ccc(C(=N)N)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ BRD4 O60885 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PLAU P00749 2/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ F2 P00734 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ KLK1 P06870 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CNR1 P21554 1/20 0.34

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
Hydrochloric Acid SCHEMBL9208972 0.98 PRSS1 (0.38) PRSS1PRSS2PRSS3BRD4CREBBP
SCHEMBL9206539 0.88 MEN1 (0.45) MEN1KMT2ATP53PDE4APDE4B
SCHEMBL9203524 0.86 KDM4E (0.44) BRD4CREBBPMEN1KMT2ATP53
SCHEMBL9201147 0.81 MAPT (0.43) BRD4CREBBPMEN1KMT2ATP53
SCHEMBL9142318 0.81 LMNA (0.46) —
SCHEMBL17275720 0.80 F2 (0.36) PRSS1PRSS2PRSS3MEN1KMT2A
Hydrochloric Acid SCHEMBL9209496 0.80 STING1 (0.37) PRSS1PRSS2PRSS3BRD4MEN1
SCHEMBL17275862 0.79 MYC (0.44) TP53
Hydrochloric Acid SCHEMBL17275789 0.78 CBX7 (0.40) BRD4CREBBPMEN1KMT2ATP53
SCHEMBL20686158 0.78 ALDH1A1 (0.35) BRD4CREBBPKMT2APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010914-B1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-26 — — EP disclosed
US-9616053-B2 Indolin-2-one or pyrrolo-pyridin/pyrimidin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2017-04-11 — — US disclosed
EP-3010914-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-27 — — EP disclosed
US-20160095844-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-04-07 — — US disclosed
WO-2014202493-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-24 — — WO 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-20160095844-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HTR2C, OPRD1, DRD3 PRSS1 4387/4885PRSS2 4094/4885PRSS3 2731/4885

“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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