SCHEMBL16998650

SCHEMBL16998650

Cc1ncsc1CSc1nc(O)c(Br)c(C(C)(F)F)n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL17002016 0.92 KDM4E (0.33) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL16743442 0.87
SCHEMBL859539 0.79
SCHEMBL16743443 0.79 ALDH1A1 (0.33) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL858589 0.75 MEN1 (0.39) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL13066825 0.72 ALDH1A1 (0.49) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL859706 0.72 ALDH1A1 (0.43) KDM4EMEN1ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL859818 0.71 ALDH1A1 (0.43) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL16998643 0.65
SCHEMBL16998642 0.64 HPGD (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 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-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP KDM4E 3841/4885MEN1 4378/4885ALDH1A1 577/4885

“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.