SCHEMBL2949959

SCHEMBL2949959

CCOc1ccc(NC(=O)c2c(NC)nc(-c3ccncc3)nc2NC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 8/20 0.54
MAPT P10636 5/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 5/20 0.54
TP53 P04637 3/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 2/20 0.53
PKM P14618 2/20 0.53
MITF O75030 1/20 0.53
NAMPT P43490 1/20 0.53
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
HPGD P15428 1/20 0.51
GAA P10253 1/20 0.49
STAT3 P40763 1/20 0.49
CYP1A2 P05177 1/20 0.49
XDH P47989 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL2948758 0.83 POLB (0.48) KMT2ALMNASMN1; SMN2MAPTRAB9A
SCHEMBL2953911 0.80 GAA (0.48) KMT2ALMNASMN1; SMN2MAPTRAB9A
SCHEMBL2954540 0.78 KMT2A (0.50) KMT2ALMNASMN1; SMN2MAPTRAB9A
SCHEMBL2949931 0.78 RAB9A (0.50) KMT2AMAPTRAB9ANPC1NAMPT
SCHEMBL2946036 0.76 RAB9A (0.46) KMT2ALMNASMN1; SMN2MAPTRAB9A
SCHEMBL29013030 0.76 LMNA (1.00) KMT2ALMNASMN1; SMN2MAPTRAB9A
SCHEMBL2950038 0.74 KMT2A (0.46) KMT2ALMNASMN1; SMN2MAPTRAB9A
SCHEMBL2953230 0.74 KMT2A (0.59) KMT2ALMNASMN1; SMN2MAPTRAB9A
SCHEMBL2953519 0.74 CYP3A4 (0.47) KMT2ALMNASMN1; SMN2MAPTRAB9A
SCHEMBL3028158 0.72 FLT1 (0.44) KMT2ALMNASMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US claimed
EP-1931642-A2 NOVEL PYRIMIDINE CARBOXAMIDES Orchid Research Laboratories Limited (IN) 2008-06-18 EP claimed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US claimed
WO-2007031829-A2 NOVEL PYRIMIDINE CARBOXAMIDES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-22 WO claimed
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US disclosed
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US disclosed
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US disclosed
EP-1931642-A2 NOVEL PYRIMIDINE CARBOXAMIDES Orchid Research Laboratories Limited (IN) 2008-06-18 EP disclosed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US disclosed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US disclosed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US disclosed
WO-2007031829-A2 NOVEL PYRIMIDINE CARBOXAMIDES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-22 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-20070072876-A1 Novel pyrimidine carboxamides UACA, SI, MYLK2 KMT2A 4280/4885LMNA 2256/4885SMN1; SMN2 69/4885

“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.