SCHEMBL1858932

SCHEMBL1858932

N#Cc1cc(Br)ccc1NCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.51
▸ PIK3CA P42336 2/20 0.51
▸ ACHE P22303 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ GLA P06280 1/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ CLK4 Q9HAZ1 3/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MAP3K8 P41279 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ HPGD P15428 2/20 0.42

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
SCHEMBL2696438 0.88 SIGMAR1 (0.42) PIK3CDPIK3CAACHEALDH1A1KDM4E
SCHEMBL5261029 0.82 ACHE (0.48) PIK3CDPIK3CAACHEALDH1A1KDM4E
SCHEMBL7519805 0.81 KMT2A (0.59) ACHEALDH1A1KDM4ELMNAGLA
SCHEMBL2942637 0.80 AAK1 (0.48) KDM4ELMNAKMT2ASMN1; SMN2HPGD
SCHEMBL1256953 0.78 ACHE (0.56) PIK3CDPIK3CAACHEALDH1A1KDM4E
SCHEMBL1519175 0.77 KMT2A (0.46) KDM4ELMNAKMT2ASMN1; SMN2HPGD
SCHEMBL13284307 0.77 KMT2A (0.43) KDM4ELMNAKMT2ASMN1; SMN2HPGD
SCHEMBL1866800 0.77 KMT2A (0.46) ALDH1A1KDM4ELMNAGLAKMT2A
SCHEMBL4039191 0.75 MAPT (0.66) ALDH1A1KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL9107823 0.75 SMN1; SMN2 (0.57) ALDH1A1LMNACYP1A2CYP3A4CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049503-B1 QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES AS P38 KINASE INHIBITORS AMGEN INC (US) 2012-12-19 — — EP disclosed
US-7935709-B2 2-quinazolinone compounds and methods of use AMGEN INC. (US) 2011-05-03 — — US disclosed
EP-2049503-A1 QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES AS P38 KINASE INHIBITORS Amgen Inc. (US) 2009-04-22 — — EP disclosed
US-20080032973-A1 2-Quinazolinone compounds and methods of use AMGEN INC. (US) 2008-02-07 — — US disclosed
WO-2008011032-A1 QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES AS P38 KINASE INHIBITORS AMGEN INC. (US) 2008-01-24 — — WO disclosed
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 — — US disclosed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 — — EP disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 — — 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-20080032973-A1 2-Quinazolinone compounds and methods of use MAP3K1, MAP3K2, MAP3K7 PIK3CD 459/4885PIK3CA 208/4885ACHE 2500/4885

“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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