SCHEMBL12907

SCHEMBL12907

Cc1nc2ccc(NN)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.62
KDM4E B2RXH2 3/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
SMN1; SMN2 Q16637 10/20 0.61
RAB9A P51151 8/20 0.55
NPC1 O15118 6/20 0.55
HTT P42858 5/20 0.55
LMNA P02545 4/20 0.55
MAPT P10636 3/20 0.54
PKM P14618 2/20 0.52
NOD2 Q9HC29 1/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 2/20 0.52
TP53 P04637 1/20 0.52
TDP1 Q9NUW8 1/20 0.51

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
Hydrochloric Acid SCHEMBL20856585 0.98 LDHA (0.60) LDHAKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL16860869 0.86 KMT2A (0.62) LDHAKDM4EKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL28888276 0.84 KMT2A (0.60) LDHAKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL4503667 0.84 KDM4E (0.64) LDHAKDM4EKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL31096951 0.79 KDM4E (0.59) LDHAKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL17315568 0.79 LDHA (0.55) LDHAKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL10310306 0.79 LDHA (0.67) LDHAKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL12210661 0.78 KMT2A (0.75) LDHAKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL4664159 0.78 LDHA (0.80) LDHAKDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL13075992 0.78 LDHA (0.61) LDHAKDM4EKMT2AMEN1SMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117043156-A Novel galectin inhibitors of galectins 格莱克特生物技术公司 2023-11-10 CN disclosed
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 WO disclosed
WO-2022144274-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2022-07-07 WO disclosed
CN-114450282-A Novel galactoside inhibitors of galectins 格莱克特生物技术公司 2022-05-06 CN disclosed
US-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2021-05-20 US disclosed
US-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2021-05-20 US disclosed
WO-2021004940-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2021-01-14 WO disclosed
WO-2019067702-A9 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-25 WO disclosed
WO-2019067702-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-04 WO disclosed
WO-2019067702-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-04 WO disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
EP-2499146-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES Merck Serono S.A. (CH) 2012-09-19 EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 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 (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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA LDHA 4134/4885KDM4E 1093/4885KMT2A 936/4885
US-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP LDHA 2163/4885KDM4E 3932/4885KMT2A 4698/4885

“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.