SCHEMBL450642

SCHEMBL450642

COc1ccc(C(=O)Nc2cc(Cl)cnc2Cl)c2cccnc12

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.69
PDE4A P27815 6/20 0.69
PDE4B Q07343 6/20 0.69
PDE4C Q08493 6/20 0.69
IRAK4 Q9NWZ3 3/20 0.54
POLB P06746 1/20 0.51
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL30074719 1.00 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CIRAK4
SCHEMBL4701160 0.88 PDE4A (0.72) PDE4DPDE4APDE4BPDE4CIRAK4
SCHEMBL4698806 0.85 PDE4A (0.69) PDE4DPDE4APDE4BPDE4CIRAK4
SCHEMBL4701218 0.82 PDE4D (0.78) PDE4DPDE4APDE4BPDE4CIRAK4
SCHEMBL4699020 0.81 PDE4A (0.76) PDE4DPDE4APDE4BPDE4CIRAK4
SCHEMBL4697930 0.81 PDE4A (0.70) PDE4DPDE4APDE4BPDE4CIRAK4
SCHEMBL155477 0.79 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL92611 0.79 PDE4A (0.71) PDE4DPDE4APDE4BPDE4CIRAK4
SCHEMBL4702946 0.79 PDE4A (0.67) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL4701482 0.78 KDM4E (0.71) PDE4DPDE4APDE4BPDE4CHTT

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 301 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11439627-B2 Pharmaceutical composition for the treatment of autism Stalicla S.A. (CH) 2022-09-13 US claimed
US-7803760-B2 Methods of inducing ovulation MERCK SERONO SA (CH) 2010-09-28 US claimed
US-20080293622-A1 METHODS OF INDUCING OVULATION MERCK SERONO SA (CH) 2008-11-27 US claimed
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP claimed
US-20050277648-A1 Use of PDE IV inhibitors to treat angiogenesis ALCON RESEARCH, LTD. 2005-12-15 US claimed
US-6953774-B2 Methods of inducing ovulation APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-10-11 US claimed
US-20050148501-A1 Methods of inducing ovulation using a non-polypeptide camp level modulator MERCK SERONO SA (CH) 2005-07-07 US claimed
US-20020103106-A1 Methods of inducing ovulation MERCK SERONO SA (CH) 2002-08-01 US claimed
US-20250115561-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2025-04-10 US disclosed
US-20250109110-A1 BICYCLIC-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2025-04-03 US disclosed
WO-2023146892-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2023-08-03 WO disclosed
US-11578042-B2 3,5-diamino-6-chloro-N-(N-(4-(4-(2-(hexyl(2,3,4,5,6-pentahydroxyhexyl)amino)ethoxy)phenyl)butyl)carbamimidoyl)pyrazine-2-carboxamide PARION SCIENCES, INC. (US) 2023-02-14 US disclosed
US-20230009902-A1 TREATMENT OF A DISEASE OR CONDITION IN A TISSUE ORGINATING FROM THE ENDODERM GLAS USA LLC 2023-01-12 US disclosed
US-11439627-B2 Pharmaceutical composition for the treatment of autism Stalicla S.A. (CH) 2022-09-13 US disclosed
WO-2003051344-A1 METHODS OF INDUCING OVULATION_USING A NON-POLYPEPTIDE CAMP LEVEL MODULATOR APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-06-26 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
US-20020103106-A1 Methods of inducing ovulation MERCK SERONO SA (CH) 2002-08-01 US disclosed
WO-2002045693-A1 PHARMACEUTICAL PREPARATION COMPRISING AN ACTIVE DISPERSED ON A MATRIX ALTANA PHARMA AG (DE) 2002-06-13 WO disclosed
EP-0952832-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS Darwin Discovery Limited (GB) 1999-11-03 EP disclosed
WO-1997044036-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1997-11-27 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 (7 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-20250115561-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1G PDE4D 565/4885PDE4A 455/4885PDE4B 330/4885
US-20050148501-A1 Methods of inducing ovulation using a non-polypeptide camp level modulator PDE4A, PDE4B, PDE4C PDE4D 8/4885PDE4A 1/4885PDE4B 2/4885
US-11578042-B2 3,5-diamino-6-chloro-N-(N-(4-(4-(2-(hexyl(2,3,4,5,6-pentahydroxyhexyl)amino)ethoxy)phenyl)butyl)carbamimidoyl)pyrazine-2-carboxamide CFTR, ELANE, IL5 PDE4D 182/4885PDE4A 231/4885PDE4B 186/4885
US-20230009902-A1 TREATMENT OF A DISEASE OR CONDITION IN A TISSUE ORGINATING FROM THE ENDODERM ALPG, ALPP, FABP2 PDE4D 2296/4885PDE4A 1695/4885PDE4B 1544/4885
US-20020103106-A1 Methods of inducing ovulation PDE4A, PDE4B, PDE4C PDE4D 8/4885PDE4A 1/4885PDE4B 2/4885
US-20080293622-A1 METHODS OF INDUCING OVULATION PDE4A, PDE4B, PDE4C PDE4D 8/4885PDE4A 1/4885PDE4B 2/4885
US-20250109110-A1 BICYCLIC-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1A PDE4D 332/4885PDE4A 285/4885PDE4B 287/4885

“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.