SCHEMBL2320028

SCHEMBL2320028

O=C(CCc1ccc(Cl)cc1F)N1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ TP53 P04637 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 3/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ PIK3CD O00329 2/20 0.38
▸ PIK3R2 O00459 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ PIK3R5 Q8WYR1 2/20 0.38
▸ PIK3R3 Q92569 2/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL2322916 0.93 MAPK1 (0.44) KMT2AALDH1A1TP53KDM4ELMNA
SCHEMBL2320811 0.90 MAPK1 (0.41) KMT2AALDH1A1TP53KDM4ELMNA
SCHEMBL2451622 0.87 FKBP1A (0.45) ALDH1A1TP53LMNATSHRPIK3CD
SCHEMBL2322437 0.84 FKBP1A (0.55) MEN1KMT2AALDH1A1TP53LMNA
SCHEMBL2321096 0.84 FKBP1A (0.43) MEN1KMT2AALDH1A1TP53KDM4E
SCHEMBL2321540 0.83 MAPK1 (0.48) MEN1KMT2AALDH1A1TP53LMNA
SCHEMBL2320894 0.82 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2449912 0.77 ALDH1A1 (0.45) MEN1KMT2AALDH1A1TP53KDM4E
SCHEMBL2320616 0.75 ALDH1A1 (0.41) ALDH1A1TP53KDM4ELMNATSHR
SCHEMBL2322111 0.75 DRD2 (0.44) MEN1KMT2AALDH1A1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US claimed
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
EP-2352733-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN Merck Patent GmbH (DE) 2011-08-10 — — EP disclosed
WO-2010060532-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN MERCK PATENT GMBH (DE) 2010-06-03 — — 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-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN ENPP2, TPX2, TPD52L2 MEN1 226/4885KMT2A 1069/4885ALDH1A1 4584/4885

“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.

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