SCHEMBL2243901

SCHEMBL2243901

Clc1nc2ccccc2nc1Nc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ASIC3 Q9UHC3 1/20 0.51
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
EPHX2 P34913 1/20 0.48
MAPT P10636 6/20 0.47
LMNA P02545 4/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 2/20 0.47
GLA P06280 1/20 0.47
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL18323559 0.80 TDP1 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL7695404 0.80 NPY5R (0.48) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL17432139 0.79 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL6993532 0.79 ALDH1A1 (0.55) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL23853641 0.78 RXFP1 (0.57) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7692260 0.78 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7690996 0.78 MEN1 (0.60) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7696805 0.77 EGFR (0.54) MAPK1GRM4
SCHEMBL17432143 0.76 MAPT (0.51) MEN1KMT2AALDH1A1MAPTGRM4
SCHEMBL17007682 0.76 ALDH1A1 (0.51) MEN1KMT2AALDH1A1HPGDSMN1; SMN2

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
US-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-05-08 US disclosed
US-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-05-08 US disclosed
US-8541415-B2 Targeting an HIV-1 nef-host cell kinase complex University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-09-24 US disclosed
US-8541415-B2 Targeting an HIV-1 nef-host cell kinase complex University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-09-24 US disclosed
US-20110190241-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERISTY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-08-04 US disclosed
US-20110190241-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERISTY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-08-04 US disclosed
WO-2009139886-A2 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-19 WO disclosed
WO-2009139886-A2 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-19 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-20110190241-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX HCK, DCK, NCK1 MEN1 4852/4885KMT2A 2078/4885ALDH1A1 4140/4885
US-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX HCK, DCK, NCK1 MEN1 4852/4885KMT2A 2043/4885ALDH1A1 4115/4885

“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.