SCHEMBL3754939

SCHEMBL3754939

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(N5CCN(C(=O)O)CC5)c4)c3)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
JMJD6 Q6NYC1 1/20 0.39
BUB1 O43683 1/20 0.36
ATR Q13535 1/20 0.35
STK17B O94768 1/20 0.35
KMO O15229 1/20 0.35
PSEN1 P49768 4/20 0.34
PSEN2 P49810 4/20 0.34
APH1B Q8WW43 4/20 0.34
NCSTN Q92542 4/20 0.34
APH1A Q96BI3 4/20 0.34
PSENEN Q9NZ42 4/20 0.34
PLOD2 O00469 2/20 0.34
PLOD3 O60568 2/20 0.34
PLOD1 Q02809 2/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 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
SCHEMBL3766682 0.93 KDM1A (0.40) KDM1AHDAC1JMJD6BUB1PSEN1
SCHEMBL3764852 0.92 KMO (0.38) STK17BKMOPIK3CDPIK3CAPIK3CB
SCHEMBL3760317 0.89 HTR1A (0.42) KDM1AHDAC1JMJD6BUB1PIK3CD
SCHEMBL3762759 0.88 PRKDC (0.40) KDM1AHDAC1JMJD6BUB1KMO
SCHEMBL3763526 0.88 KDM1A (0.38) KDM1AHDAC1JMJD6ATRSTK17B
SCHEMBL16161748 0.88 PIK3CD (0.37) KDM1AHDAC1JMJD6BUB1ATR
SCHEMBL3766110 0.87 PRKCA (0.42) KDM1AHDAC1JMJD6BUB1ATR
SCHEMBL3761577 0.87 PRKDC (0.42) KDM1AHDAC1JMJD6BUB1PIK3CD
SCHEMBL3764482 0.86 BUB1 (0.44) BUB1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3764674 0.86 BUB1 (0.35) KDM1AHDAC1JMJD6BUB1ATR

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 KDM1A 3543/4885HDAC1 669/4885JMJD6 3134/4885

“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.