SCHEMBL18396641

SCHEMBL18396641

O=[N+]([O-])c1c(OCc2ccccc2)ccnc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MGMT P16455 1/20 0.48
CYP19A1 P11511 5/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
MAPT P10636 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
PPIF P30405 1/20 0.42
PPIA P62937 1/20 0.42
POLB P06746 1/20 0.42
LTA4H P09960 1/20 0.41
MAPK14 Q16539 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
SCHEMBL5036374 0.83 MGMT (0.58) MEN1KMT2AMGMTCYP19A1CYP11B1
SCHEMBL3345345 0.83 CYP19A1 (0.48) PIN1MEN1KMT2AMGMTCYP19A1
SCHEMBL5531567 0.80 KMT2A (0.61) PIN1MEN1KMT2ACYP19A1CYP11B1
SCHEMBL15013285 0.80 MAPT (0.55) MEN1KMT2AMGMTCYP19A1CYP11B1
SCHEMBL15536327 0.79 PIN1 (0.50) PIN1MEN1KMT2AMGMTCYP19A1
SCHEMBL30648686 0.77 MGMT (0.54) PIN1MEN1KMT2AMGMTCYP19A1
SCHEMBL1843397 0.77 MGMT (0.54) PIN1MEN1KMT2AMGMTCYP19A1
SCHEMBL23723738 0.77 MAPK14 (0.49) MAPTNPC1RAB9APPIAPOLB
SCHEMBL29958897 0.77 MEN1 (0.54) PIN1MEN1KMT2AMAPTNPC1
SCHEMBL2241680 0.77 MEN1 (0.54) PIN1MEN1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368127-B Compounds and their use as EP4 receptor antagonists 武田药品工业株式会社 2020-12-11 CN disclosed
US-20200339577-A1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-29 US disclosed
US-10745397-B2 1-Substituted 1,2,3,4-tetrahydro-1,7-naphthyridin-8-amine derivatives and their use as EP4 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-08-18 US disclosed
EP-3325490-B1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2019-12-18 EP disclosed
US-20180215754-A1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-02 US disclosed
EP-3325490-A1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2018-05-30 EP disclosed
WO-2017014323-A1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-26 WO disclosed
WO-2017014323-A1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-26 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 (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-10745397-B2 1-Substituted 1,2,3,4-tetrahydro-1,7-naphthyridin-8-amine derivatives and their use as EP4 receptor antagonists PTGER4, PTGER1, PTGER3 PIN1 3426/4885MEN1 1230/4885KMT2A 2430/4885
US-20200339577-A1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, PTGER3 PIN1 3426/4885MEN1 1230/4885KMT2A 2430/4885
US-20180215754-A1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, PTGER3 PIN1 3426/4885MEN1 1230/4885KMT2A 2430/4885

“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.