SCHEMBL13043597

SCHEMBL13043597

Cc1ccnc2oncc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
PSMD14 O00487 1/20 0.36
COPS5 Q92905 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
DYRK1A Q13627 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL12899436 0.75 HSP90AA1 (0.31)
SCHEMBL12143638 0.70 CCR1 (0.48) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL18320640 0.68 KDM4E (0.45) L3MBTL1
SCHEMBL19152797 0.68 ALDH1A1 (0.35) L3MBTL1CYP2C19
SCHEMBL8069391 0.67 CYP1A2 (0.36) CCR1CCR5CCR8SMN1; SMN2
SCHEMBL8274149 0.67 CCR1 (0.35) CCR1CCR5CCR8NOS3NOS2
SCHEMBL17537339 0.67 CYP2A6 (0.45) CCR1CCR5CCR8L3MBTL1CYP2C9
SCHEMBL21909647 0.65 MEN1 (0.33)
SCHEMBL1499848 0.64
SCHEMBL8098549 0.64 BRD4 (0.45) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125803-A1 HETEROAROMATIC NITROGEN-OXIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 北京鞍石生物科技有限责任公司 2023-07-06 WO disclosed
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 US disclosed
US-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2023-01-31 US disclosed
WO-2021188907-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
US-9345699-B2 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling NANTBIOSCIENCE, INC. (US) 2016-05-24 US disclosed
US-9345699-B2 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling NANTBIOSCIENCE, INC. (US) 2016-05-24 US disclosed
US-20120277233-A1 Pyridyl-Triazine Inhibitors of Hedgehog Signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-11-01 US disclosed
US-20120277233-A1 Pyridyl-Triazine Inhibitors of Hedgehog Signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-11-01 US disclosed
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-10-25 US disclosed
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-10-25 US disclosed
WO-2010144586-A1 ISOQUINOLINE, QUINOLINE, AND QUINAZOLINE DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 WO 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 (4 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-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof HBZ, ZFX, HBG1 CCR1 2386/4885CCR5 481/4885CCR8 2463/4885
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, TP53BP1 CCR1 2945/4885CCR5 3397/4885CCR8 4111/4885
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO CCR1 3553/4885CCR5 917/4885CCR8 2904/4885
US-20120277233-A1 Pyridyl-Triazine Inhibitors of Hedgehog Signaling SHH, GLI1, SMO CCR1 2315/4885CCR5 2037/4885CCR8 1603/4885

“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.