SCHEMBL2320811

SCHEMBL2320811

CN1CCN(C(=O)c2c3c(nc4ccccc24)CCN(C(=O)CCc2ccc(Cl)cc2F)C3)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGDR2 Q9Y5Y4 7/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ PTGER2 P43116 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL2321540 0.93 MAPK1 (0.48) MAPK1SMN1; SMN2NPC1HTTRAB9A
SCHEMBL2320028 0.90 MEN1 (0.39) MAPK1SMN1; SMN2HTTKMT2APTGDR2
SCHEMBL2322916 0.83 MAPK1 (0.44) MAPK1SMN1; SMN2HTTKMT2AALDH1A1
SCHEMBL2316426 0.83 ALDH1A1 (0.48) HTTRAB9AKMT2APTGDR2ALDH1A1
SCHEMBL2451622 0.77 FKBP1A (0.45) MAPK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2317218 0.77 MAPT (0.45) MAPK1SMN1; SMN2NPC1HTTRAB9A
SCHEMBL2317901 0.75 ALDH1A1 (0.48) MAPK1SMN1; SMN2NPC1HTTRAB9A
SCHEMBL2321191 0.75 ALDH1A1 (0.48) MAPK1SMN1; SMN2NPC1HTTRAB9A
SCHEMBL2321096 0.74 FKBP1A (0.43) MAPK1KMT2APTGDR2ALDH1A1TP53
SCHEMBL2318728 0.74 KMT2A (0.62) MAPK1SMN1; SMN2NPC1HTTRAB9A

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 MAPK1 3988/4885SMN1; SMN2 4063/4885NPC1 3753/4885

“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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