SCHEMBL2017538

SCHEMBL2017538

[C]#Cc1ccnc(NCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.62
FABP1 P07148 1/20 0.57
FABP6 P51161 1/20 0.57
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 1/20 0.53
CXCR4 P61073 1/20 0.50
CYP1A2 P05177 7/20 0.47
CLK4 Q9HAZ1 6/20 0.47
CYP2D6 P10635 6/20 0.47
CYP3A4 P08684 5/20 0.47
CYP2C19 P33261 5/20 0.47
LMNA P02545 1/20 0.47
ACHE P22303 1/20 0.47
AAK1 Q2M2I8 1/20 0.45
MAPK1 P28482 4/20 0.45
HSD17B10 Q99714 3/20 0.45
USP2 O75604 2/20 0.45
POLB P06746 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
SCHEMBL31240672 0.77 NOS2 (0.66) NOS2FABP1FABP6ALDH1A1MEN1
SCHEMBL3175243 0.77 NOS2 (1.00) NOS2FABP1FABP6ALDH1A1MEN1
SCHEMBL7459147 0.77 NOS2 (0.66) NOS2FABP1FABP6ALDH1A1MEN1
SCHEMBL16041099 0.77 NOS2 (0.66) NOS2FABP1FABP6ALDH1A1MEN1
SCHEMBL14818957 0.75 NOS2 (0.69) NOS2FABP1FABP6ALDH1A1MEN1
SCHEMBL2015333 0.73 HTR2C (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL29664808 0.73 FABP1 (1.00) NOS2FABP1FABP6ALDH1A1MEN1
SCHEMBL2230559 0.73 FABP1 (1.00) NOS2FABP1FABP6ALDH1A1MEN1
SCHEMBL5311875 0.73 NOS2 (0.60) NOS2FABP1FABP6ALDH1A1MEN1
SCHEMBL28966338 0.73 NOS2 (0.65) NOS2FABP1FABP6ALDH1A1MEN1

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 NOS2 2287/4885FABP1 2538/4885FABP6 1797/4885

“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.