SCHEMBL6616396

SCHEMBL6616396

c1ccc(CCC2CNCc3ccccc3N2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL31018488 1.00 MEN1 (0.44) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL31018491 1.00 MEN1 (0.44) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL31018502 1.00 MEN1 (0.44) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL4138679 0.78 MTNR1A (0.48)
SCHEMBL4551372 0.78 TACR2 (0.40)
SCHEMBL7681443 0.78 CREBBP (0.45) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7488882 0.76 GAA (0.44) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL4817473 0.73 KDM4E (0.45)
SCHEMBL28923974 0.72 GRIN2B (0.44)
SCHEMBL6633357 0.71 ALDH1A1 (0.40) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200306253-A1 Therapeutic Modulators of the Reverse Mode of ATP Synthase FORREST MICHAEL DAVID (GB) 2020-10-01 US disclosed
US-20200247758-A1 Therapeutic Inhibitors of the Reverse Mode of ATP Synthase FORREST MICHAEL DAVID (GB) 2020-08-06 US disclosed
WO-2019012149-A1 THERAPEUTIC MODULATORS OF THE REVERSE MODE OF ATP SYNTHASE FORREST MICHAEL DAVID (GB) 2019-01-17 WO disclosed
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 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 (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-20200306253-A1 Therapeutic Modulators of the Reverse Mode of ATP Synthase ATP5ME, ATP5F1A, ATP5MG MEN1 2378/4885KMT2A 2520/4885CYP3A4 1559/4885
US-20200247758-A1 Therapeutic Inhibitors of the Reverse Mode of ATP Synthase ATP5ME, ATP5MG, ATP5F1A MEN1 1843/4885KMT2A 2190/4885CYP3A4 614/4885

“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.