SCHEMBL18554387

SCHEMBL18554387

Clc1cc(Br)cc2nc[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
CHEK1 O14757 1/20 0.37
PIM1 P11309 1/20 0.37
AKT1 P31749 1/20 0.37
FLT3 P36888 1/20 0.37
PIM3 Q86V86 1/20 0.37
CSNK2A1 P68400 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
KMT2A Q03164 1/20 0.36
DYRK1A Q13627 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
ALDH1A1 P00352 3/20 0.33
PARP1 P09874 2/20 0.33
PKM P14618 1/20 0.32
DPP4 P27487 1/20 0.32
KDM4E B2RXH2 1/20 0.31
APEX1 P27695 1/20 0.31

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
SCHEMBL20125038 0.80 PARP1 (0.41) MAPTCHEK1PIM1CSNK2A1RAB9A
SCHEMBL20471835 0.79 ALDH1A1 (0.43) MAPTCSNK2A1RAB9AALDH1A1PARP1
SCHEMBL30140704 0.76 CHEK1 (0.37) MAPTCHEK1PIM1AKT1FLT3
SCHEMBL2411729 0.76 MAPT (0.39) MAPTCHEK1PIM1AKT1FLT3
SCHEMBL2418830 0.76 NQO2 (0.38) MAPTCHEK1PIM1AKT1FLT3
SCHEMBL23749628 0.76 CHEK1 (0.37) MAPTCHEK1PIM1AKT1FLT3
SCHEMBL31056362 0.76 NQO2 (0.38) MAPTCHEK1PIM1AKT1FLT3
SCHEMBL18966973 0.76 MAPT (0.43) MAPTCSNK2A1ALDH1A1PARP1DPP4
SCHEMBL7035006 0.76 PRKCI (0.41) MAPTALDH1A1PARP1DPP4KDM4E
SCHEMBL25151354 0.74 PARP1 (0.60) MAPTCHEK1PIM1AKT1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3340982-B1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2021-12-15 EP disclosed
EP-3340982-B1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2021-12-15 EP disclosed
US-10807952-B2 Compounds for treatment of immune inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-20 US disclosed
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2020-03-17 US disclosed
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-09-03 US disclosed
US-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-07-02 US disclosed
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-19 US disclosed
EP-3340982-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Achillion Pharmaceuticals, Inc. (US) 2018-07-04 EP disclosed
WO-2017035408-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 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 (8 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-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 MAPT 4820/4885CHEK1 2514/4885PIM1 4518/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 MAPT 4825/4885CHEK1 2476/4885PIM1 4452/4885
US-10807952-B2 Compounds for treatment of immune inflammatory disorders CFD, TFPI, CFH MAPT 3341/4885CHEK1 4456/4885PIM1 2685/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 MAPT 4820/4885CHEK1 2514/4885PIM1 4518/4885
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS CFD, TFPI, CFH MAPT 3341/4885CHEK1 4456/4885PIM1 2685/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 MAPT 4825/4885CHEK1 2476/4885PIM1 4452/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 MAPT 4818/4885CHEK1 2393/4885PIM1 4491/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 MAPT 4818/4885CHEK1 2393/4885PIM1 4491/4885

“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.