SCHEMBL3754629

SCHEMBL3754629

O=C(O)N[C@@H]1CCN(C(=O)c2cccc(-c3cc(-c4c(N5CCOCC5)sc5c4CCCC5=O)ccn3)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
HCRTR1 O43613 1/20 0.36
KDM5B Q9UGL1 4/20 0.36
SYK P43405 1/20 0.36
RIPK1 Q13546 1/20 0.35
SPR P35270 1/20 0.34
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34

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
SCHEMBL3763707 1.00 BMPR1B (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3760371 0.85 BMPR1B (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3759120 0.85 PARP1 (0.39) TGFBR1CCNT1CDK9PIK3CAMTOR
SCHEMBL3760654 0.84 PIK3CA (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3761429 0.82 CBLB (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3769553 0.81 TGFBR1 (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3754789 0.81 LRRK2 (0.42) KDM1AHDAC1CCNT1CDK9ALDH1A1
SCHEMBL3766079 0.80 SYK (0.34) SYK
SCHEMBL3758952 0.80 CYP2C19 (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3759686 0.79 PIK3CA (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 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 (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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA BMPR1B 3535/4885BMPR1A 4121/4885TGFBR1 1914/4885

“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.