SCHEMBL20183605

SCHEMBL20183605

CCn1c(=O)cc(N2CCOCC2)c2cc(N(C)C(=O)c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.47
BRAF P15056 18/20 0.47
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL20183753 0.91 ALDH1A1 (0.42) RAF1BRAFALDH1A1SMN1; SMN2MEN1
SCHEMBL20183563 0.89 ALDH1A1 (0.42) RAF1BRAFALDH1A1SMN1; SMN2MEN1
SCHEMBL20183689 0.88 MAPT (0.46) RAF1BRAFALDH1A1SMN1; SMN2MEN1
SCHEMBL20183546 0.88 KDM4E (0.40) RAF1BRAFALDH1A1SMN1; SMN2MEN1
SCHEMBL20183520 0.86 BRPF1 (0.45) ALDH1A1SMN1; SMN2MEN1MAPTHPGD
SCHEMBL20183778 0.85 MAPT (0.42) RAF1BRAFALDH1A1SMN1; SMN2MEN1
SCHEMBL20183525 0.85 RXFP1 (0.44) ALDH1A1SMN1; SMN2MEN1MAPTHPGD
SCHEMBL20183656 0.84 MAPT (0.44) ALDH1A1SMN1; SMN2MEN1MAPTHPGD
SCHEMBL20183584 0.84 AKT1 (0.44) ALDH1A1SMN1; SMN2MEN1MAPTHPGD
SCHEMBL20183637 0.84 HIF1A (0.40) ALDH1A1SMN1; SMN2MEN1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10987349-B2 Antitumor agent and bromodomain inhibitor FUJIFILM CORPORATION (JP) 2021-04-27 US disclosed
US-10987349-B2 Antitumor agent and bromodomain inhibitor FUJIFILM CORPORATION (JP) 2021-04-27 US disclosed
EP-3563851-B1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORP (JP) 2021-04-21 EP disclosed
EP-3327004-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORP (JP) 2020-11-04 EP disclosed
US-10696637-B2 Nitrogen-containing heterocyclic compound FUJIFILM CORPORATION (JP) 2020-06-30 US disclosed
US-10696637-B2 Nitrogen-containing heterocyclic compound FUJIFILM CORPORATION (JP) 2020-06-30 US disclosed
US-10633343-B2 2020-04-28 US disclosed
US-10633343-B2 2020-04-28 US disclosed
EP-3563851-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM Corporation (JP) 2019-11-06 EP disclosed
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORPORATION (JP) 2019-10-17 US disclosed
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORPORATION (JP) 2019-10-17 US disclosed
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORPORATION (JP) 2019-03-14 US disclosed
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORPORATION (JP) 2019-03-14 US disclosed
EP-3327004-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Fujifilm Corporation (JP) 2018-05-30 EP 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 (5 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-10987349-B2 Antitumor agent and bromodomain inhibitor BRD4, BRD1, BRD3 RAF1 415/4885BRAF 617/4885ALDH1A1 3243/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 RAF1 2396/4885BRAF 3586/4885ALDH1A1 3095/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 RAF1 415/4885BRAF 617/4885ALDH1A1 3243/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 RAF1 2396/4885BRAF 3586/4885ALDH1A1 3095/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 RAF1 2669/4885BRAF 4218/4885ALDH1A1 2674/4885

“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.