SCHEMBL2943524

SCHEMBL2943524

CSc1ccc(-c2nc(SC)c(C(=O)Nc3ccc(C)c(C)c3)c(N3CCN(C)CC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 3/20 0.44
HPGD P15428 1/20 0.44
MTOR P42345 9/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
HTR2A P28223 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 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
SCHEMBL2950530 0.90 TP53 (0.43) USP2TSHRRAB9ANPC1TP53
SCHEMBL2945514 0.81 RAB9A (0.46) RAB9ANPC1MAPTLMNAKDM4E
SCHEMBL2951883 0.81 ADORA3 (0.45) TSHRRAB9ANPC1TP53MAPT
SCHEMBL2945524 0.80 KMT2A (0.43) TSHRRAB9ANPC1MAPTLMNA
SCHEMBL2950536 0.79 RAB9A (0.44) TSHRRAB9ANPC1MAPTLMNA
SCHEMBL2948828 0.76 RAB9A (0.42) USP2RAB9ANPC1TP53MAPT
SCHEMBL2952951 0.74 RAB9A (0.46) USP2TSHRRAB9ANPC1HPGD
SCHEMBL2950844 0.71 CYP1A2 (0.48) USP2TSHRRAB9ANPC1TP53
SCHEMBL2944090 0.70 CCNC (0.46) TSHRRAB9ANPC1MAPTLMNA
SCHEMBL2943426 0.70 CYP1A2 (0.49) USP2TSHRRAB9ANPC1TP53

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 13 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
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 USP2 2385/4885TSHR 1704/4885RAB9A 1458/4885

“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.