SCHEMBL3140589

SCHEMBL3140589

O=C1CCCCc2sc(-c3ccccc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 2/20 0.44
PTP4A2 Q12974 1/20 0.44
PTP4A1 Q93096 1/20 0.44
CDC7 O00311 2/20 0.43
DBF4 Q9UBU7 2/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 6/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
TP53 P04637 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL5209408 0.84 CDC7 (0.41) CDC7DBF4NPC1RAB9ALMNA
SCHEMBL16664022 0.83 CDC7 (0.39) CDC7DBF4NPC1ALDH1A1MAPT
SCHEMBL15606102 0.81 PARP10 (0.42) CDC7DBF4ALDH1A1MAOB
SCHEMBL6804853 0.81 CDC7 (0.62) CDC7DBF4ALDH1A1
SCHEMBL2433167 0.80 BRD4 (0.47) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL10427034 0.74 PTP4A3 (0.44) PTP4A3PTP4A2PTP4A1CDC7DBF4
SCHEMBL18333426 0.74 CDC7 (0.76) PTP4A3PTP4A2PTP4A1CDC7DBF4
SCHEMBL1823319 0.72 PTP4A3 (0.45) PTP4A3PTP4A2PTP4A1CDC7DBF4
SCHEMBL3138935 0.69 MEN1 (0.33) RAB9AALDH1A1KMT2ACYP2A6MAOA
SCHEMBL17807500 0.69 MAPK10 (0.42) PTP4A3PTP4A2PTP4A1CDC7DBF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546410-B2 Heteroaryl-fused macrocyclic pyrimidine derivatives ABBVIE INC. (US) 2013-10-01 US disclosed
US-20100004256-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-01-07 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-20100004256-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES CDK2, DPYD, CCNB1 PTP4A3 3275/4885PTP4A2 2830/4885PTP4A1 2558/4885

“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.