SCHEMBL2452371

SCHEMBL2452371

Nc1ccc(C2CCN(C(=O)C(F)(F)F)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
P2RY14 Q15391 1/20 0.47
SLC18A3 Q16572 1/20 0.47
EPHX2 P34913 3/20 0.43
EPHX1 P07099 2/20 0.43
NAMPT P43490 2/20 0.41
RIPK1 Q13546 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
RBP4 P02753 2/20 0.40
PARP10 Q53GL7 1/20 0.40
QDPR P09417 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC9A1 P19634 1/20 0.39
KCNH2 Q12809 1/20 0.39
PARP1 P09874 1/20 0.38

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
SCHEMBL25585276 0.92 SLC18A3 (0.47) KDM1AP2RY14SLC18A3EPHX2EPHX1
SCHEMBL25831010 0.86 SLC18A3 (0.47) KDM1AP2RY14SLC18A3KCNH2
SCHEMBL8414100 0.84 P2RY14 (0.47) KDM1AP2RY14EPHX2EPHX1NAMPT
SCHEMBL20705482 0.84 RAB9A (0.50) KDM1AP2RY14SLC18A3NAMPTTLR9
SCHEMBL571141 0.84 KDM1A (0.60) KDM1AP2RY14RIPK1RBP4KCNH2
Hydrochloric Acid SCHEMBL7511725 0.83 KDM1A (0.43) KDM1AP2RY14EPHX2EPHX1NAMPT
SCHEMBL31488868 0.83 NAMPT (0.58) SLC18A3NAMPTTLR9TLR8TLR7
SCHEMBL15254117 0.83 P2RY14 (0.56) KDM1AP2RY14NAMPTRIPK1TLR9
SCHEMBL5695210 0.82 CA2 (0.59) KDM1AP2RY14CYP3A4CYP2C9SLC9A1
SCHEMBL571076 0.82 P2RY14 (0.45) KDM1AP2RY14EPHX2EPHX1NAMPT

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
WO-2023083194-A1 WEE1 PROTEIN KINASE DEGRADATION AGENT AND USE THEREOF 杭州格博生物医药有限公司 2023-05-19 WO disclosed
US-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 US disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 US disclosed
EP-1020434-A1 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2000-07-19 EP disclosed
US-6051580-A Substituted heterocycles ZENECA LIMITED 2000-04-18 US disclosed
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
EP-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP disclosed
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 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 (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-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE JAK3, JAK1, UACA KDM1A 465/4885P2RY14 2195/4885SLC18A3 3358/4885

“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.