SCHEMBL4574251

SCHEMBL4574251

COc1ccc(NCCN)cn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ MAPT P10636 1/20 0.53
▸ PABPC1 P11940 5/20 0.47
▸ HDAC1 Q13547 2/20 0.45
▸ LMNA P02545 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ BCDIN3D Q7Z5W3 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ NNMT P40261 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL6269870 0.84 KMT2A (0.55) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL8349276 0.80 KMT2A (0.53) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL3212183 0.80 MEN1 (0.50) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL18171768 0.79 KMT2A (0.49) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL12933403 0.77 KMT2A (0.50) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL25650053 0.77 STK17A (0.42) MAPTHDAC1HDAC8HDAC6NPSR1
SCHEMBL4459452 0.76 KMT2A (0.57) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL31363149 0.76 KMT2A (0.49) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL8348534 0.76 KMT2A (0.49) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL31252505 0.76 KMT2A (0.51) KMT2AMEN1KDM4EMAPTPABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 — — US claimed
WO-2008100622-A2 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 — — WO claimed
US-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2022-05-12 — — US disclosed
WO-2020210308-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-10-15 — — WO disclosed
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 — — US disclosed
WO-2008100622-A2 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 — — WO disclosed
EP-0796847-B1 Pyridine derivative, anti-ulcer drug, and antibacterial drug SHISEIDO CO LTD (JP) 2001-11-28 — — EP disclosed
US-6017937-A BACTERICIDE AGAINST HELICOBACTER PYROLI; INHIBITING ACID SECRETION IN STOMACH OF MAN OR MAMMALS, PREVENTING OR CURING ULCER SHISEIDO CO., LTD. (JP) 2000-01-25 — — US disclosed
US-5859032-A HAVING ANTIBACTERIAL ACTIVITY AGAINST HELICOBACTER PYLORI SHISEIDO CO., LTD. (JP) 1999-01-12 — — US disclosed
EP-0796847-A1 Pyridine derivative, anti-ulcer drug, and antibacterial drug SHISEIDO COMPANY LIMITED (JP) 1997-09-24 — — EP 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-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS3BP, LGALS1 KMT2A 4596/4885MEN1 2349/4885KDM4E 3889/4885
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ KMT2A 4149/4885MEN1 4873/4885KDM4E 3340/4885

“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.

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