SCHEMBL16610679

SCHEMBL16610679

CC(=O)N1CCN(c2ccc(-c3nn(-c4c(F)cccc4F)c4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.37
CASP6 P55212 1/20 0.37
DGAT1 O75907 1/20 0.37
CYP17A1 P05093 3/20 0.37
CYP21A2 P08686 3/20 0.37
CYP11B1 P15538 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
PTGER1 P34995 1/20 0.36
KCNK3 O14649 1/20 0.36
WNT3A P56704 1/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX12 P18054 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 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
SCHEMBL16611486 0.89 AKR1C3 (0.38) PTGER1MAPK1MAPTMEN1KMT2A
SCHEMBL16611302 0.88 ROCK2 (0.41) CYP3A4MAPK1MAPTMEN1KMT2A
SCHEMBL18052632 0.86 PTGER1 (0.33) PTGER1
SCHEMBL16611949 0.85 ZAP70 (0.41) MAPK1USP2ALDH1A1CYP1A2HPGD
SCHEMBL16726713 0.85 KHK (0.37) CYP3A4MAPK1MAPTMEN1KMT2A
SCHEMBL16611141 0.85 ZAP70 (0.39) DGAT1KCNK3
SCHEMBL16611480 0.85 SMN1; SMN2 (0.38) CYP17A1CYP21A2CYP11B1PTGER1MAPK1
Hydrochloric Acid SCHEMBL16611399 0.85 ZAP70 (0.41) MAPK1USP2ALDH1A1CYP1A2HPGD
SCHEMBL16611251 0.83 EED (0.39) MAPTALDH1A1SMN1; SMN2EED
SCHEMBL16623574 0.81 AKR1C3 (0.32) PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 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 (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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 GFER 4151/4885CASP6 2074/4885DGAT1 2448/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 GFER 4151/4885CASP6 2074/4885DGAT1 2448/4885

“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.