SCHEMBL1576897

SCHEMBL1576897

CN(C)/C=N\c1ccc(I)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.41
ALDH1A1 P00352 8/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 1/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
LMNA P02545 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 2/20 0.30
GLA P06280 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL29971820 1.00 GAA (0.45) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL1576898 1.00 GAA (0.45) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL12693914 1.00 GAA (0.45) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4014542 0.83 GAA (0.44) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL14191690 0.83 GAA (0.44) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4014545 0.83 GAA (0.44) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL14191688 0.82 CYP3A4 (0.49) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL5491257 0.81 LMNA (0.42) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL1192238 0.81 ALDH1A1 (0.44) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL1822157 0.81 LMNA (0.42) GAAMAPTALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245351-A1 PROCESS FOR THE PREPARATION OF LAPATINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS NATCO PHARMA LIMITED (IN) 2012-09-27 US disclosed
EP-1981876-B1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LTD (GB) 2011-05-04 EP disclosed
WO-2011039759-A1 A NEW PROCESS FOR THE PREPARATION OF LAPATINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS NATCO PHARMA LIMITED (IN) 2011-04-07 WO disclosed
US-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
EP-1844004-B1 QUINAZOLINE DERIVATES AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LTD (GB) 2009-06-24 EP disclosed
EP-1991533-A1 CHEMICAL COMPOUNDS Arrow Therapeutics Limited (GB) 2008-11-19 EP disclosed
US-20080267914-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-10-30 US disclosed
WO-2008056149-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ARROW THERAPEUTICS LIMITED (GB) 2008-05-15 WO disclosed
US-20080114008-A1 Quinazoline Derivatives as Antiviral Agents ARROW THERAPEUTICS LIMITED (GB) 2008-05-15 US disclosed
EP-1844004-A1 QUINAZOLINE DERIVATES AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2007-10-17 EP disclosed
WO-2007042782-A1 CHEMICAL COMPOUNDS ARROW THERAPEUTICS LIMITED (GB) 2007-04-19 WO disclosed
WO-2006079833-A1 QUINAZOLINE DERIVATIVES AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2006-08-03 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 (4 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-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS SLC28A1, TPMT, ACE GAA 348/4885MAPT 2681/4885ALDH1A1 443/4885
US-20120245351-A1 PROCESS FOR THE PREPARATION OF LAPATINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS ABL1, ERBB2, EGFR GAA 3214/4885MAPT 1668/4885ALDH1A1 4115/4885
US-20080267914-A1 Chemical Compounds RNASEL, ZC3HAV1L, RNASEH1 GAA 1317/4885MAPT 4645/4885ALDH1A1 294/4885
US-20080114008-A1 Quinazoline Derivatives as Antiviral Agents IFNAR1, C5, EIF2AK2 GAA 2208/4885MAPT 4840/4885ALDH1A1 757/4885

“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.