SCHEMBL20183620

SCHEMBL20183620

CCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccc(F)cc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.38
MLNR O43193 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 1/20 0.36
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
RORC P51449 1/20 0.35
GRIN2A Q12879 2/20 0.35
GRIA2 P42262 1/20 0.35
NPY5R Q15761 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL20183551 0.94 KDM4E (0.38) ITKMLNRPTGDR2MAPTALDH1A1
SCHEMBL20183805 0.92 ALDH1A1 (0.37) MAPTALDH1A1TSHRHTTRORC
SCHEMBL20183680 0.91 MCHR1 (0.39) ALDH1A1TSHRHTTPER2CRY1
SCHEMBL20183518 0.91 BRD4 (0.39) ITKMAPTALDH1A1TP53RORC
SCHEMBL20183710 0.90 SMN1; SMN2 (0.37) MAPTALDH1A1TSHRTP53RORC
SCHEMBL20183496 0.90 ALDH1A1 (0.36) ITKMAPTALDH1A1TSHRHTT
SCHEMBL20183493 0.90 MAPT (0.37) MAPTALDH1A1HTTRORCNPY5R
SCHEMBL20183851 0.90 ALDH1A1 (0.41) ITKMAPTALDH1A1TSHRHTT
SCHEMBL20183731 0.88 ALDH1A1 (0.37) MAPTALDH1A1TSHRTP53NPY5R
SCHEMBL20183740 0.88 TP53 (0.42) MAPTALDH1A1TSHRTP53DPP4

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 16 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
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
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 ITK 4696/4885MLNR 3662/4885PTGDR2 2199/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 ITK 4626/4885MLNR 4095/4885PTGDR2 2070/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 ITK 4696/4885MLNR 3662/4885PTGDR2 2199/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 ITK 4626/4885MLNR 4095/4885PTGDR2 2070/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 ITK 4572/4885MLNR 4575/4885PTGDR2 2150/4885

“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.