SCHEMBL1601362

SCHEMBL1601362

Cc1cc2cc(-c3nnc(N)s3)ccc2cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 1/20 0.53
QPCT Q16769 2/20 0.52
QPCTL Q9NXS2 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 7/20 0.49
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CDK2 P24941 1/20 0.48
AKT1 P31749 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MGAM O43451 3/20 0.45
GAA P10253 3/20 0.45
SI P14410 3/20 0.45
MGAM2 Q2M2H8 3/20 0.45

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
SCHEMBL1595944 0.82 QPCT (0.52) ALDH1A1SMN1; SMN2LMNAQPCTQPCTL
SCHEMBL11369352 0.78 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL31165776 0.78 BACE1 (0.46) ALDH1A1SMN1; SMN2QPCTQPCTLKDM4E
SCHEMBL25269484 0.78 BACE1 (0.46) ALDH1A1SMN1; SMN2QPCTQPCTLKDM4E
SCHEMBL20916075 0.77 GSK3B (0.53) GSK3BDYRK1AWNT1
SCHEMBL10284642 0.76 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAQPCTQPCTL
SCHEMBL1594955 0.76 KDM4E (0.57) ALDH1A1SMN1; SMN2LMNAQPCTQPCTL
SCHEMBL7233066 0.74 MGAM (0.58) ALDH1A1SMN1; SMN2LMNAQPCTQPCTL
SCHEMBL11339097 0.73 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNAQPCTQPCTL
SCHEMBL1594544 0.71 EGFR (0.53) ALDH1A1SMN1; SMN2LMNAQPCTQPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809282-B1 THIADIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2013-01-09 EP disclosed
US-7919514-B2 Protein kinase B inhibitors; anticarcinogenic, antiinflammatory and antiproliferative agents; metabolic disorders; 3-(3-fluoro-phenyl)-N-[5-(3-methyl-1H-indazol-5-yl)-[1,3,4]thiadiazol-2-yl]-propane-1,2-diamine and derivatives AMGEN INC. (US) 2011-04-05 US disclosed
US-7700636-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2010-04-20 US disclosed
CN-101389335-A Thiadiazole compounds and methods of use. AMGEN INC (US) 2009-03-18 CN disclosed
US-20080269243-A1 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-10-30 US disclosed
US-20080255145-A1 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-10-16 US disclosed
US-7354944-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-04-08 US disclosed
US-20060154961-A1 Thiadiazole compounds and methods of use AMGEN INC. 2006-07-13 US 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 (3 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-20080255145-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 ALDH1A1 2285/4885SMN1; SMN2 4487/4885LMNA 4376/4885
US-20080269243-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 ALDH1A1 2285/4885SMN1; SMN2 4487/4885LMNA 4376/4885
US-20060154961-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 ALDH1A1 2285/4885SMN1; SMN2 4487/4885LMNA 4376/4885

“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.