SCHEMBL955033

SCHEMBL955033

CC=Cc1nc(-c2c(C)nn3ccccc23)sc1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
HDAC1 Q13547 2/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 2/20 0.32
MIF P14174 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
PDE5A O76074 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL955032 1.00 LMNA (0.34) LMNACYP1A2CYP3A4CYP2C19HDAC1
SCHEMBL955587 0.90 SMN1; SMN2 (0.40) LMNACYP1A2CYP3A4CYP2C19HDAC1
SCHEMBL955586 0.90 SMN1; SMN2 (0.40) LMNACYP1A2CYP3A4CYP2C19HDAC1
SCHEMBL958143 0.81 LMNA (0.38) LMNACYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL953497 0.81 CDC7 (0.39) LMNACYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL952241 0.81 CDC7 (0.52) LMNACYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL13257569 0.79 VCP (0.30) VCP
SCHEMBL955218 0.79 ALDH1A1 (0.40) LMNACYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL955010 0.78 CDC7 (0.40) LMNACYP1A2CYP3A4CYP2C19MIF
SCHEMBL952001 0.78 CDC7 (0.37) LMNACYP1A2CYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 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 (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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 LMNA 4454/4885CYP1A2 1643/4885CYP3A4 1179/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 LMNA 2019/4885CYP1A2 224/4885CYP3A4 741/4885

“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.