SCHEMBL12539166

SCHEMBL12539166

CN1CCC(c2ncc(Br)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
MLYCD O95822 2/20 0.35
QDPR P09417 1/20 0.33
USP7 Q93009 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
PLG P00747 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
SCHEMBL17203791 0.83
SCHEMBL4660454 0.82 MLYCD (0.35) MLYCD
SCHEMBL14314254 0.81 ALOX15 (0.39) ALOX15MLYCDQDPRKDM4ESMN1; SMN2
SCHEMBL20298979 0.80 WDR5 (0.39) TDP1MLYCDKDM4ESMN1; SMN2
SCHEMBL20298764 0.80 WDR5 (0.36) MLYCDSMN1; SMN2MKNK1
SCHEMBL20789235 0.79 FPR3 (0.38) MLYCD
SCHEMBL20789238 0.79 FPR3 (0.38) MLYCD
SCHEMBL21122190 0.79 ESR2 (0.32)
SCHEMBL21139263 0.79 ESR2 (0.32)
SCHEMBL20807215 0.78 WDR5 (0.39) TDP1KDM4EGAASMN1; SMN2MKNK1

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
WO-2024253416-A1 PYRIMIDINE/PYRIDINE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2024-12-12 WO disclosed
CN-117279896-A Amino substituted pyrido ring compounds, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-12-22 CN disclosed
WO-2022214044-A1 AMINE-SUBSTITUTED PYRIDINE FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-10-13 WO disclosed
US-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 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-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 TDP1 3773/4885ALOX15 4406/4885MLYCD 1487/4885

“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.