SCHEMBL21663204

SCHEMBL21663204

CCn1c(C)nc2c1C(=O)/C(=C/N(C)C)C2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMARCA4 P51532 1/20 0.30

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
SCHEMBL21663156 0.84 KDM4E (0.33) KDM4EMEN1KMT2A
SCHEMBL21662993 0.84 PDE5A (0.34) KDM4EMEN1KMT2A
SCHEMBL21663151 0.77 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19KDM4EMEN1
SCHEMBL21663311 0.77 KDM4E (0.34) KDM4EMEN1KMT2ASMARCA4
SCHEMBL21663142 0.71 KDM4E (0.32) KDM4EMEN1KMT2A
SCHEMBL21663307 0.68 KDM4E (0.33) KDM4EMEN1KMT2A
SCHEMBL21663300 0.66 ADORA2A (0.38) CYP2C19KDM4EMEN1KMT2A
SCHEMBL21663205 0.65 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL21663173 0.65 KDM4E (0.31) KDM4EMEN1KMT2A
SCHEMBL21663040 0.63 KDM4E (0.32) KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168088-B2 Pyridylamino substituted heterotricyclic compounds, and preparation method and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. 2021-11-09 — — US disclosed
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-02-06 — — 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 (2 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-11168088-B2 Pyridylamino substituted heterotricyclic compounds, and preparation method and pharmaceutical use thereof CYP2D6, PNPO, CYP2B6 CYP1A2 39/4885CYP3A4 48/4885CYP2C19 12/4885
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF CYP2D6, PNPO, CYP2B6 CYP1A2 39/4885CYP3A4 48/4885CYP2C19 12/4885

“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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