SCHEMBL2117006

SCHEMBL2117006

COc1cc(N)ncc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
PIK3CA P42336 2/20 0.39
MTOR P42345 1/20 0.39
KIT P10721 1/20 0.38
DYRK1A Q13627 1/20 0.38
EGFR P00533 1/20 0.36
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDGFRB P09619 1/20 0.36

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
SCHEMBL29637494 0.80 NOS3 (0.44) NOS3NOS1NOS2P2RX3P2RX2
SCHEMBL29637497 0.80 NOS3 (0.44) NOS3NOS1NOS2P2RX3P2RX2
SCHEMBL2894993 0.80 NOS3 (0.44) NOS3NOS1NOS2P2RX3P2RX2
SCHEMBL1827513 0.80 ALDH1A1 (0.39) P2RX3P2RX2KITKDM1AALDH1A1
SCHEMBL23520373 0.78 ALOX5AP (0.40) ALOX5APFEN1P2RX3P2RX2PIK3CA
SCHEMBL20521684 0.78 ALOX5AP (0.49) ALOX5APFEN1PIK3CAMTORDYRK1A
SCHEMBL91466 0.77 NOS3 (0.58) NOS3NOS1NOS2P2RX3P2RX2
SCHEMBL8118182 0.77 DRD1 (0.39) P2RX3P2RX2ALDH1A1PDGFRBPDGFRA
SCHEMBL2610403 0.77 SLC6A4 (0.41) P2RX3P2RX2ALDH1A1PDGFRBPDGFRA
SCHEMBL29791325 0.76 PDE4A (0.39) ALOX5APFEN1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473289-B2 Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use AMGEN INC. (US) 2025-11-18 US disclosed
EP-4065579-A1 HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2022-10-05 EP disclosed
US-20210171529-A1 HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS AND METHODS OF USE AMGEN INC. 2021-06-10 US disclosed
US-20210171529-A1 HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS AND METHODS OF USE AMGEN INC. 2021-06-10 US disclosed
WO-2021108404-A1 HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2021-06-03 WO disclosed
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US 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-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 ALOX5AP 2427/4885FEN1 4873/4885NOS3 1630/4885
US-20210171529-A1 HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS AND METHODS OF USE SCD5, SCD, FADS2 ALOX5AP 84/4885FEN1 2648/4885NOS3 1964/4885
US-12473289-B2 Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use SCD5, SCD, FADS2 ALOX5AP 84/4885FEN1 2648/4885NOS3 1964/4885

“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.