SCHEMBL17469574

SCHEMBL17469574

Cc1ccc2nc(C)c(C)n2n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE10A Q9Y233 16/20 0.43
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35

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
SCHEMBL15539094 0.81 PDE10A (0.40) KDM4EMEN1KMT2APDE10A
SCHEMBL12798307 0.81 KDM4E (0.47) KDM4EMEN1KMT2APDE10A
SCHEMBL23748001 0.78 KDM4E (0.46) KDM4EMEN1KMT2APDE10AAKT1
SCHEMBL16972443 0.78 PDE10A (0.51) PDE10A
SCHEMBL16972535 0.77 PDE10A (0.49) PDE10A
SCHEMBL16972436 0.77 PDE10A (0.50) PDE10A
SCHEMBL21301565 0.77 PDE10A (0.46) KDM4EMEN1KMT2APDE10AAKT1
SCHEMBL16972524 0.77 PDE10A (0.49) KDM4EMEN1KMT2APDE10A
SCHEMBL18597010 0.77 PDE10A (0.46) KDM4EMEN1KMT2APDE10A
SCHEMBL17515540 0.75 KDM4E (0.43) KDM4EMEN1KMT2APDE10AAKT1

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-3786167-A1 DIARYL MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION, AND USE THEREOF Primegene (Beijing) Co., Ltd. (CN) 2021-03-03 EP disclosed
EP-3233862-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-07-03 EP disclosed
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-31 US disclosed
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 US disclosed
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-01-28 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-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS KDM4E 1304/4885MEN1 2271/4885KMT2A 3514/4885
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S KDM4E 4528/4885MEN1 2772/4885KMT2A 4446/4885
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S KDM4E 4528/4885MEN1 2772/4885KMT2A 4446/4885

“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.