SCHEMBL2103019

SCHEMBL2103019

[CH2]CN(C)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.54
CHKA P35790 1/20 0.54
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SLC6A2 P23975 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
HBB P68871 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL1036118 0.78 CHRM5 (0.56) CHRM5CHKAMAPTSMN1; SMN2SLC6A2
SCHEMBL27622576 0.76 CHRM5 (0.54) CHRM5CHKAMAPTSMN1; SMN2SLC6A2
SCHEMBL2103936 0.76 LOXL2 (0.34) CHRM5CHKA
SCHEMBL4075155 0.76 CHRM5 (0.48) CHRM5CHKAMAPTSMN1; SMN2SLC6A2
SCHEMBL95247 0.75 CA12 (0.47) CHKAMEN1KMT2A
SCHEMBL14409566 0.74 CHRM5 (0.52) CHRM5CHKAMAPTSMN1; SMN2SLC6A2
SCHEMBL8281666 0.74 CHRM5 (0.52) CHRM5CHKASLC6A2
SCHEMBL2104038 0.74 CHRNB2 (0.46)
Hydrochloric Acid SCHEMBL5395464 0.73 CHRM5 (0.50) CHRM5CHKASLC6A2
SCHEMBL21952689 0.73 CHRM5 (0.50) CHRM5CHKAMAPTSMN1; SMN2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100525763-C Mono-and bicyclic pyrrole derivatives inhibiting ligand interaction with higher glycation end product receptors TRANSTECH PHARMA INC (US) 2009-08-12 CN claimed
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US claimed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US claimed
CN-1633290-A Mono-and bicyclic pyrrole derivatives inhibiting ligand interaction with higher glycation end product receptors TRANSTECH PHARMA INC (US) 2005-06-29 CN claimed
US-8163735-B2 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2012-04-24 US disclosed
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 EP disclosed
CN-101613321-A The list and the bicyclic pyrrole derivatives that suppress part and advanced glycation end product acceptor interaction TRANSTECH PHARMA INC 2009-12-30 CN disclosed
CN-101597262-A The list and the bicyclic pyrrole derivatives that suppress part and advanced glycation end product acceptor interaction TRANSTECH PHARMA INC (US) 2009-12-09 CN disclosed
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-09-17 US disclosed
CN-100525763-C Mono-and bicyclic pyrrole derivatives inhibiting ligand interaction with higher glycation end product receptors TRANSTECH PHARMA INC (US) 2009-08-12 CN disclosed
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
EP-1819667-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-22 EP disclosed
WO-2006060810-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 WO disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US disclosed
CN-1633290-A Mono-and bicyclic pyrrole derivatives inhibiting ligand interaction with higher glycation end product receptors TRANSTECH PHARMA INC (US) 2005-06-29 CN disclosed
US-6638945-B1 Pharmaceutical compositions and methods of treatment of proliferative disease such as cancer using said inhibitors of specific kinase enzymes, especially MEK enzymes, as well as novel quinoline derivatives as antigrowth agents ASTRAZENECA AB (SE) 2003-10-28 US disclosed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 EP disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 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 (2 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-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 CHRM5 83/4885CHKA 1836/4885MAPT 844/4885
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors CTSF, CTSS, CSTB CHRM5 2683/4885CHKA 1941/4885MAPT 4402/4885

“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.