SCHEMBL10037129

SCHEMBL10037129

COc1cc(NC(C)C)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.52
KCNH3 Q9ULD8 3/20 0.45
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.42
APP P05067 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3950572 0.81 HDAC3 (0.45) ALDH1A1KMT2AKCNH3POLBTDP1
SCHEMBL14446455 0.81 KMT2A (0.38) ALDH1A1KMT2AKCNH3KDM4EPOLB
SCHEMBL632065 0.81 HDAC3 (0.45) ALDH1A1KMT2AKCNH3POLBTDP1
SCHEMBL631776 0.79 KCNH3 (0.64) ALDH1A1KMT2AKCNH3POLBTDP1
Hydrochloric Acid SCHEMBL2249099 0.77 KCNH3 (0.67) ALDH1A1KMT2AKCNH3POLBTDP1
SCHEMBL26547659 0.77 KCNH3 (0.43) ALDH1A1KMT2AKCNH3CYP1A1CYP1B1
SCHEMBL633443 0.76 ALDH1A1 (0.60) ALDH1A1KMT2AKCNH3KDM4EPOLB
SCHEMBL10024341 0.76 TDP1 (0.55) ALDH1A1KMT2AKCNH3POLBTDP1
SCHEMBL4421097 0.76 KMT2A (0.56) ALDH1A1KMT2AKDM4EPOLBNPC1
SCHEMBL4421101 0.76 KMT2A (0.56) ALDH1A1KMT2AKDM4EPOLBNPC1

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
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-20160096819-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2016-04-07 US disclosed
EP-2997020-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2016-03-23 EP disclosed
CN-105189477-A Process for preparing n-substituted 1h-pyrazole-5-carboxylic acid compounds and derivatives thereof BASF SE 2015-12-23 CN disclosed
WO-2014184343-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2014-11-20 WO disclosed
US-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. 2012-12-06 US disclosed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 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-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines CLPP, SI, SAMHD1 ALDH1A1 1257/4885KMT2A 3111/4885KCNH3 957/4885
US-20190343837-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 ALDH1A1 1257/4885KMT2A 3111/4885KCNH3 957/4885
US-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 ALDH1A1 1257/4885KMT2A 3111/4885KCNH3 957/4885
US-10363254-B2 Methods for treating cryptosporidiosis using triazolopyridazines CLPP, SI, SAMHD1 ALDH1A1 1257/4885KMT2A 3111/4885KCNH3 957/4885
US-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS JAK2, JAK1, JAK3 ALDH1A1 1671/4885KMT2A 521/4885KCNH3 1636/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA ALDH1A1 1055/4885KMT2A 700/4885KCNH3 3015/4885
US-20160096819-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF CA3, CA2, CA1 ALDH1A1 989/4885KMT2A 507/4885KCNH3 85/4885
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 2606/4885KMT2A 3846/4885KCNH3 4745/4885

“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.