SCHEMBL12710367

SCHEMBL12710367

Fc1cccc(CN2CCC(Nc3ncnc4sccc34)CC2)c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
MEN1 O00255 13/20 0.56
KMT2A Q03164 12/20 0.56
RAB9A P51151 3/20 0.52
RXFP1 Q9HBX9 2/20 0.52
LMNA P02545 1/20 0.52
NOD2 Q9HC29 1/20 0.52
HTR2B P41595 1/20 0.51
MAPK1 P28482 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
EHMT2 Q96KQ7 1/20 0.49
NSD2 O96028 1/20 0.48

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
SCHEMBL1604201 0.91 HTT (0.75) HTTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL1605139 0.87 HTT (1.00) HTTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL12533525 0.84 MEN1 (0.66) HTTSMN1; SMN2MEN1KMT2AHTR2B
SCHEMBL1604148 0.84 HTR2B (0.70) HTTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL1604038 0.78 HTT (0.52) HTTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL1604250 0.78 MEN1 (0.67) HTTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL1604266 0.78 MEN1 (0.77) HTTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL1921558 0.76 HTT (0.50) HTTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL1605136 0.76 MEN1 (0.57) HTTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL11890534 0.74 EHMT2 (0.46) HTTSMN1; SMN2MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2011-04-07 US disclosed
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2011-04-07 US disclosed
US-20100113485-A1 Piperidinylamino-thieno[2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2010-05-06 US disclosed
US-20100113485-A1 Piperidinylamino-thieno[2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2010-05-06 US disclosed
US-7612078-B2 Piperidinylamino-thieno[2,3-D] pyrimidine compounds EPIX DELAWARE, INC. (US) 2009-11-03 US disclosed
US-7612078-B2 Piperidinylamino-thieno[2,3-D] pyrimidine compounds EPIX DELAWARE, INC. (US) 2009-11-03 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 (2 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-20100113485-A1 Piperidinylamino-thieno[2,3-D] Pyrimidine Compounds HTR2B, HTR3B, HTR1B HTT 2061/4885SMN1; SMN2 4727/4885MEN1 4118/4885
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds HTR5A, HTR3A, HTR1A HTT 3083/4885SMN1; SMN2 1383/4885MEN1 2784/4885

“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.