SCHEMBL17296471

SCHEMBL17296471

Clc1ncnc2sc3c(c12)CCN(CCCN1CCOCC1)C3

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 1/20 0.50
TSHR P16473 3/20 0.49
RXFP1 Q9HBX9 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
LIMK1 P53667 1/20 0.49
MKNK1 Q9BUB5 7/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 3/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL17296426 0.97 LIMK1 (0.52) TNNI3KTSHRRXFP1LMNAGAA
SCHEMBL17307708 0.86 RXFP1 (0.43) TNNI3KTSHRRXFP1LMNAGAA
SCHEMBL17296464 0.84 LIMK1 (0.52) TSHRRXFP1GAALIMK1MKNK1
SCHEMBL17296462 0.83 RXFP1 (0.48) TNNI3KRXFP1LMNAGAALIMK1
SCHEMBL17296436 0.82 RXFP1 (0.46) TNNI3KRXFP1GAALIMK1MKNK1
SCHEMBL17307743 0.81 RXFP1 (0.46) TNNI3KRXFP1GAALIMK1MKNK1
SCHEMBL17307849 0.78 LIMK1 (0.47) RXFP1GAALIMK1MKNK1MEN1
SCHEMBL17296460 0.77 LIMK1 (0.53) RXFP1GAALIMK1MKNK1MEN1
SCHEMBL18762028 0.76 MKNK1 (0.63) RXFP1LMNAGAALIMK1MKNK1
SCHEMBL17307638 0.76 HSP90AA1 (0.51) TSHRRXFP1LIMK1MKNK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107229-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-20 US claimed
US-20170107229-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-20 US disclosed
US-20170107229-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-20 US disclosed
US-20170107229-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-20 US disclosed
EP-3149004-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-05 EP disclosed
WO-2015181063-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-03 WO disclosed
WO-2015181063-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-03 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-20170107229-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES TYMP, DPYD, TYMS TNNI3K 1570/4885TSHR 4401/4885RXFP1 4764/4885

“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.