SCHEMBL2887996

SCHEMBL2887996

COc1cc(C(=O)Nc2cccnc2Cl)ccc1OC(F)F

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.81
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
KMT2A Q03164 2/20 0.56
TP53 P04637 2/20 0.56
PDE4D Q08499 7/20 0.56
TDP1 Q9NUW8 1/20 0.54
PDE4A P27815 3/20 0.53
PDE4B Q07343 3/20 0.53
PDE4C Q08493 3/20 0.53
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ABCB1 P08183 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL30084834 1.00 POLB (0.81) POLBMAPTLMNANPC1RAB9A
SCHEMBL29824723 0.96 POLB (0.81) POLBMAPTLMNANPC1RAB9A
SCHEMBL2889699 0.96 POLB (0.81) POLBMAPTLMNANPC1RAB9A
SCHEMBL30084823 0.81 RAB9A (0.55) POLBMAPTLMNANPC1RAB9A
SCHEMBL2891499 0.81 RAB9A (0.55) POLBMAPTLMNANPC1RAB9A
SCHEMBL30084839 0.81 NPC1 (0.59) POLBLMNANPC1RAB9AKMT2A
SCHEMBL2887760 0.81 NPC1 (0.59) POLBLMNANPC1RAB9AKMT2A
SCHEMBL2887046 0.80 NPC1 (0.58) POLBLMNANPC1RAB9AKMT2A
SCHEMBL29824491 0.80 NPC1 (0.58) POLBLMNANPC1RAB9AKMT2A
SCHEMBL2889399 0.78 PDE4D (0.64) POLBMAPTNPC1RAB9AKMT2A

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-20240316015-A1 COMPOSITION AND METHOD FOR TREATING TUMORS NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2024-09-26 US disclosed
EP-4282413-A1 COMPOSITION AND METHOD FOR TREATING TUMORS NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-11-29 EP disclosed
CN-116963773-A Compositions and methods for treating tumors 浙江养生堂天然药物研究所有限公司 2023-10-27 CN disclosed
CN-115397411-A Pharmaceutical combination and use thereof 浙江养生堂天然药物研究所有限公司 2022-11-25 CN disclosed
WO-2022156727-A1 COMPOSITION AND METHOD FOR TREATING TUMORS 浙江养生堂天然药物研究所有限公司 2022-07-28 WO disclosed
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
EP-0706513-B1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEM FAB (DE) 2002-05-15 EP disclosed
US-5712298-A Fluoroalkoxy-substituted benzamides and their use as cyclic nucleotide phosphodiesterase inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-01-27 US disclosed
EP-0706513-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-04-17 EP disclosed
WO-1995001338-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-01-12 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 (1 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-20240316015-A1 COMPOSITION AND METHOD FOR TREATING TUMORS PDE4B, PDE4A, PDE4C POLB 449/4885MAPT 2345/4885LMNA 2966/4885

“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.