SCHEMBL9967717

SCHEMBL9967717

CC(C)COc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.50
KMT2A Q03164 2/20 0.49
KCNH2 Q12809 1/20 0.49
OGG1 O15527 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
TRIM24 O15164 1/20 0.46

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
SCHEMBL2967940 0.86 TRIM24 (0.55) LMNAMAPK1SMN1; SMN2KDM4ETRIM24
SCHEMBL5658758 0.84 WDR5 (0.46) WDR5KMT2AKCNH2OGG1LMNA
SCHEMBL5661304 0.84 WDR5 (0.46) WDR5KMT2AKCNH2OGG1LMNA
SCHEMBL19513578 0.82 HTR1D (0.57) KMT2ADRD2DRD4
SCHEMBL19513368 0.82 HTR1D (0.57) KMT2ADRD2DRD4
SCHEMBL24767008 0.82 WDR5 (0.49) WDR5KMT2AKCNH2OGG1LMNA
SCHEMBL13251265 0.81 HTT (0.54) WDR5KMT2AKCNH2LMNAMAPK1
SCHEMBL19501387 0.81 KMT2A (0.47) WDR5KMT2AKCNH2OGG1DRD2
SCHEMBL19501397 0.81 KMT2A (0.47) WDR5KMT2AKCNH2OGG1DRD2
SCHEMBL11463788 0.81 MAOA (0.65) WDR5KMT2AKCNH2OGG1LMNA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2022-01-25 US disclosed
US-20190343837-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2019-11-14 US disclosed
US-10363254-B2 Methods for treating cryptosporidiosis using triazolopyridazines UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2019-07-30 US disclosed
US-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2018-03-08 US disclosed
US-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2018-03-08 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-8853237-B2 Naphthyridinone analogs as mGluR5 positive allosteric modulators VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
US-7498458-B2 Process for the preparation of prostaglandins and analogues thereof RESOLUTION CHEMICALS LIMITED (GB) 2009-03-03 US disclosed
US-7498458-B2 Process for the preparation of prostaglandins and analogues thereof RESOLUTION CHEMICALS LIMITED (GB) 2009-03-03 US disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20080312308-A1 SUBSTITUTED ACETIC ACID DERIVATIVES WYETH (US) 2008-12-18 US disclosed
US-7411083-B2 Substituted acetic acid derivatives WYETH (US) 2008-08-12 US disclosed
US-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use AERIE PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-7268239-B2 Process for the preparation of prostaglandins and analogues thereof RESOLUTION CHEMICALS LIMITED (GB) 2007-09-11 US disclosed
US-7268239-B2 Process for the preparation of prostaglandins and analogues thereof RESOLUTION CHEMICALS LIMITED (GB) 2007-09-11 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 (8 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 WDR5 2127/4885KMT2A 3692/4885KCNH2 4203/4885
US-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines CLPP, SI, SAMHD1 WDR5 1629/4885KMT2A 3111/4885KCNH2 643/4885
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD WDR5 2221/4885KMT2A 3719/4885KCNH2 2364/4885
US-20190343837-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 WDR5 1629/4885KMT2A 3111/4885KCNH2 643/4885
US-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use HCAR1, HCAR2, PAICS WDR5 4263/4885KMT2A 3127/4885KCNH2 1918/4885
US-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 WDR5 1629/4885KMT2A 3111/4885KCNH2 643/4885
US-10363254-B2 Methods for treating cryptosporidiosis using triazolopyridazines CLPP, SI, SAMHD1 WDR5 1629/4885KMT2A 3111/4885KCNH2 643/4885
US-20080312308-A1 SUBSTITUTED ACETIC ACID DERIVATIVES AADAC, ACACA, AANAT WDR5 4528/4885KMT2A 1541/4885KCNH2 2793/4885

“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.