SCHEMBL3552220

SCHEMBL3552220

Clc1cc(NCc2cccnc2)nc(Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
PKM P14618 1/20 0.56
RAD52 P43351 1/20 0.56
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 4/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C19 P33261 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
ALOX15 P16050 1/20 0.50
LTA4H P09960 1/20 0.50
MAPT P10636 1/20 0.47
PABPC1 P11940 1/20 0.47
ALDH1A1 P00352 3/20 0.47
APAF1 O14727 1/20 0.46
HK1 P19367 1/20 0.46
RAB9A P51151 1/20 0.46
HKDC1 Q2TB90 1/20 0.46

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
SCHEMBL3558841 0.86 PTGDR (0.47) KMT2AMEN1PKMRAD52L3MBTL1
SCHEMBL9884921 0.83 DAPK3 (0.56) L3MBTL1CLK4ALDH1A1MAPK1KDM4E
SCHEMBL8348399 0.82 PKM (0.56) KMT2AMEN1PKMRAD52POLB
SCHEMBL3553378 0.81 PKM (0.61) KMT2AMEN1PKMRAD52CYP1A2
SCHEMBL12963420 0.80 RAD52 (0.71) KMT2AMEN1PKMRAD52POLB
SCHEMBL1310247 0.80 PKM (0.76) KMT2APKMRAD52CYP1A2CYP2D6
SCHEMBL16654031 0.79 CYP1A2 (0.67) KMT2AMEN1POLBL3MBTL1CYP1A2
SCHEMBL12933404 0.79 KMT2A (0.50) KMT2AMEN1PKMRAD52POLB
SCHEMBL1678795 0.79 LTA4H (0.53) KMT2AMEN1PKMRAD52POLB
SCHEMBL3554877 0.77 PIK3CB (0.57) PKMRAD52CYP1A2CYP3A4CYP2D6

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 11 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-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 US disclosed
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 US disclosed
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 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-2007042806-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 WO 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 (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-20090042884-A1 Pharmaceutical Compounds PIK3CA, JAK1, PIK3R1 KMT2A 3223/4885MEN1 2883/4885PKM 502/4885
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER NR3C1, NR4A3, NR4A1 KMT2A 3405/4885MEN1 2033/4885PKM 3764/4885

“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.