SCHEMBL2015333

SCHEMBL2015333

[C]#Cc1cccc(NCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
METAP2 P50579 1/20 0.46
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.44
FFAR1 O14842 1/20 0.44
PTPN1 P18031 2/20 0.44
PTPN11 Q06124 1/20 0.44
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
F2 P00734 1/20 0.42
PTPRZ1 P23471 1/20 0.41
KCNH3 Q9ULD8 1/20 0.41

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
SCHEMBL1680823 0.83 LMNA (0.57) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2321667 0.83 FFAR1 (0.48) HTR2CMETAP2MEN1CYP1A2CYP3A4
SCHEMBL6690772 0.81 HTT (0.57) HTR2CMETAP2MEN1CYP1A2CYP3A4
SCHEMBL18347844 0.76 HTR2C (0.42) HTR2CMETAP2MEN1CYP1A2CYP3A4
N-Benzylaniline SCHEMBL7840 0.74 HTT (0.71) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22628164 0.74 HTT (0.71) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15463279 0.74 METAP2 (0.62) HTR2CMETAP2HTTFFAR1PTPN1
SCHEMBL28855181 0.74 FFAR1 (0.53) HTR2CMETAP2MEN1KMT2AHTT
SCHEMBL14662573 0.74 MAPT (0.40) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14661726 0.74 MAPT (0.40) CYP1A2CYP3A4CYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703961-B2 Thiazole derivatives for the treatment of diseases such as cancer MERCK PATENT GMBH (DE) 2014-04-22 US disclosed
EP-2513071-A1 THIAZOLE DERIVATIVES FOR TREATING DISEASES SUCH AS CANCER Merck Patent GmbH (DE) 2012-10-24 EP disclosed
US-20120252759-A1 THIAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKER HAFTING (DE) 2012-10-04 US disclosed
WO-2011072779-A1 THIAZOLE DERIVATIVES FOR TREATING DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2011-06-23 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-20120252759-A1 THIAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER RET, IGF1R, JAK2 HTR2C 3405/4885METAP2 3349/4885MEN1 393/4885

“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.