SCHEMBL4090822

SCHEMBL4090822

Clc1cc(-c2nc(Cl)c3ccccc3n2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.56
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
NR1I3 Q14994 1/20 0.43
KDM4E B2RXH2 2/20 0.41
TGFBR1 P36897 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
ABCG2 Q9UNQ0 3/20 0.40
IDO1 P14902 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE5A O76074 3/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3461416 0.80 MAPT (0.59) METAP1KDM4ETGFBR1MEN1KMT2A
SCHEMBL18253554 0.80 ADORA2A (0.54) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL384799 0.79 METAP1 (0.61) METAP1MEN1KMT2AABCG2PDE5A
SCHEMBL16404333 0.79 METAP1 (0.61) METAP1KDM4EMEN1KMT2AMAPT
SCHEMBL16768514 0.79 METAP1 (0.53) METAP1NR1I3TGFBR1MEN1KMT2A
SCHEMBL24138577 0.78 METAP1 (0.73) METAP1NR1I3TGFBR1MEN1KMT2A
SCHEMBL11826398 0.78 NR1I3 (0.67) METAP1NR1I3KDM4ETGFBR1MEN1
SCHEMBL11829152 0.78 METAP1 (0.51) METAP1NR1I3KDM4EMEN1KMT2A
SCHEMBL19136142 0.78 METAP1 (0.51) METAP1NR1I3KDM4EMEN1KMT2A
SCHEMBL23348686 0.77 IDO1 (0.53) ADORA2AADORA1IDO1TRPA1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US disclosed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 METAP1 2617/4885ADORA2A 1366/4885ADORA1 2176/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 METAP1 2579/4885ADORA2A 972/4885ADORA1 1779/4885

“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.