SCHEMBL3551906

SCHEMBL3551906

Clc1cc(Cl)nc(NCCc2cccnc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
RAD52 P43351 1/20 0.53
MKNK1 Q9BUB5 3/20 0.50
MKNK2 Q9HBH9 3/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
INSR P06213 1/20 0.47
IGF1R P08069 1/20 0.47
FGFR1 P11362 1/20 0.47
KDR P35968 1/20 0.47
OGA O60502 1/20 0.47
GBA1 P04062 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
CHRNA7 P36544 1/20 0.45
KCNH3 Q9ULD8 1/20 0.44

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
SCHEMBL1312011 0.86 PKM (0.66) PKMRAD52MKNK1MKNK2KDM4E
SCHEMBL3553378 0.86 PKM (0.61) PKMRAD52KDM4ERAB9A
SCHEMBL7024590 0.82 APP (0.54) L3MBTL1ADORA3ADORA2AADORA2BADORA1
SCHEMBL1029556 0.81 PIK3CA (0.67) PKMRAD52OGAPIK3CA
SCHEMBL3558841 0.81 PTGDR (0.47) PKMRAD52MKNK1MKNK2KDM4E
SCHEMBL3549932 0.81 KCNH3 (0.56) MKNK1MKNK2KCNH3
SCHEMBL12963420 0.76 RAD52 (0.71) PKMRAD52KDM4EL3MBTL1IGF1R
SCHEMBL21593125 0.75 CYP1A2 (0.51) MKNK1MKNK2KDM4ENPC1RAB9A
SCHEMBL7589414 0.73 HTT (0.48) KDM4EADORA3ADORA2AADORA2BADORA1
SCHEMBL16606311 0.73 CYP1A2 (0.63) L3MBTL1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
WO-2007042810-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 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 (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-20090042884-A1 Pharmaceutical Compounds PIK3CA, JAK1, PIK3R1 PKM 502/4885RAD52 3444/4885MKNK1 1642/4885

“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.