SCHEMBL15533548

SCHEMBL15533548

CC1CCc2c(sc3ncnc(O)c23)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.70
TSHR P16473 1/20 0.60
LMNA P02545 4/20 0.59
CSNK2A2 P19784 3/20 0.59
CSNK2B P67870 3/20 0.59
CSNK2A1 P68400 3/20 0.59
ALDH1A1 P00352 3/20 0.59
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.53
PDE4A P27815 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 3/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
TP53 P04637 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50

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
SCHEMBL15933915 1.00 LIMK1 (0.70) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL15923688 0.83 LIMK1 (0.50) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL15923690 0.83 LIMK1 (0.50) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL15933927 0.83 LIMK1 (0.50) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL14459722 0.82 LIMK1 (0.70) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL17850662 0.82 LIMK1 (0.70) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL15534294 0.81 LIMK1 (0.60) LIMK1TSHRLMNACSNK2A2CSNK2B
SCHEMBL18135597 0.80 LIMK1 (0.61) LIMK1LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL16384778 0.77 LIMK1 (0.78) LIMK1LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL923855 0.76 LIMK1 (0.66) LIMK1TSHRLMNACSNK2A2CSNK2B

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
EP-2852595-B1 SUBSTITUTED BENZOTHIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed
US-20160159816-A1 SUBSTITUTED THIENOPYRIMIDINES AND PHARMACEUTICAL USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-09 US disclosed
US-9296757-B2 Substituted benzothienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-29 US disclosed
US-20150152121-A1 Substituted Benzothienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-04 US disclosed
EP-2852595-A1 SUBSTITUTED BENZOTHIENOPYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2015-04-01 EP disclosed
WO-2013174735-A1 SUBSTITUTED BENZOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 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 (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-20150152121-A1 Substituted Benzothienopyrimidines CCNA1, CCNT2, TYMP LIMK1 4038/4885TSHR 2655/4885LMNA 1889/4885
US-20160159816-A1 SUBSTITUTED THIENOPYRIMIDINES AND PHARMACEUTICAL USE THEREOF TYMP, DPYD, TYMS LIMK1 3605/4885TSHR 3295/4885LMNA 4202/4885

“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.