SCHEMBL2193231

SCHEMBL2193231

Brc1cncc(Oc2cccnc2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
GRM5 P41594 2/20 0.52
CYP19A1 P11511 3/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
LTA4H P09960 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL8304733 0.87 LMNA (0.66) LMNATDP1GRM5CYP19A1HTT
SCHEMBL1555903 0.85 LTA4H (0.48) LMNATDP1HTTTSHRLTA4H
SCHEMBL7453614 0.84 POLB (0.41)
SCHEMBL6668822 0.83 LTA4H (0.46) LMNATDP1HTTTSHRLTA4H
SCHEMBL30535283 0.82 LMNA (0.82) LMNATDP1CYP19A1HTTALDH1A1
SCHEMBL676142 0.82 LMNA (0.82) LMNATDP1CYP19A1HTTALDH1A1
SCHEMBL788675 0.81 LMNA (0.62) LMNATDP1GRM5CYP19A1HTT
SCHEMBL22061921 0.80 LMNA (0.87) LMNATDP1CYP19A1HTTALDH1A1
SCHEMBL2180955 0.80 LMNA (0.56) LMNATDP1GRM5CYP19A1HTT
SCHEMBL4457253 0.80 LMNA (0.56) LMNATDP1GRM5CYP19A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors MIRATI THERAPEUTICS INC (US) 2024-06-27 US disclosed
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors MIRATI THERAPEUTICS INC (US) 2024-06-27 US disclosed
US-20230054883-A1 MTA-Cooperative PRMT5 Inhibitors Mirati Therapeutics, Inc. 2023-02-23 US disclosed
US-20230054883-A1 MTA-Cooperative PRMT5 Inhibitors Mirati Therapeutics, Inc. 2023-02-23 US disclosed
US-11492351-B2 MTA-cooperative PRMT5 inhibitors Mirati Therapeutics, Inc. (US) 2022-11-08 US disclosed
US-11479551-B2 MTA-cooperative PRMT5 inhibitors Mirati Therapeutics, Inc. (US) 2022-10-25 US disclosed
US-11479551-B2 MTA-cooperative PRMT5 inhibitors Mirati Therapeutics, Inc. (US) 2022-10-25 US disclosed
US-20210078994-A1 MTA-Cooperative PRMT5 Inhibitors Mirati Therapeutics, Inc. 2021-03-18 US disclosed
US-20210078994-A1 MTA-Cooperative PRMT5 Inhibitors Mirati Therapeutics, Inc. 2021-03-18 US disclosed
WO-2021050915-A1 MTA-COOPERATIVE PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-18 WO disclosed
US-8598345-B2 Substituted heteroarylamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2013-12-03 US disclosed
US-20110172248-A1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-14 US disclosed
US-20110172248-A1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-14 US disclosed
US-20110172248-A1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-14 US disclosed
WO-2011035186-A1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY (US) 2011-03-24 WO disclosed
US-7101896-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2006-09-05 US disclosed
US-20050267111-A1 Pharmaceutical compositions and methods for use DULL GARY M 2005-12-01 US disclosed
US-6890935-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-05-10 US disclosed
WO-2002088114-A2 HETEROARYL OFEFINIC AZACYCLIC AND HETEROARYL ACETYLENIC AZACYCLIC COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS TARGACEPT, INC. (US) 2002-11-07 WO disclosed
US-20020058652-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-05-16 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-20050267111-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 LMNA 1971/4885TDP1 2098/4885GRM5 2135/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 LMNA 1971/4885TDP1 2098/4885GRM5 2135/4885
US-11479551-B2 MTA-cooperative PRMT5 inhibitors PRMT5, PRMT1, PRMT3 LMNA 3407/4885TDP1 823/4885GRM5 586/4885
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors PRMT1, PRMT5, PRMT6 LMNA 2473/4885TDP1 584/4885GRM5 964/4885
US-20110172248-A1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 LMNA 4679/4885TDP1 2381/4885GRM5 1/4885
US-20210078994-A1 MTA-Cooperative PRMT5 Inhibitors PRMT5, PRMT1, PRMT3 LMNA 3593/4885TDP1 686/4885GRM5 311/4885
US-11492351-B2 MTA-cooperative PRMT5 inhibitors PRMT5, PRMT1, PRMT3 LMNA 3407/4885TDP1 823/4885GRM5 586/4885
US-20230054883-A1 MTA-Cooperative PRMT5 Inhibitors PRMT5, PRMT1, PRMT3 LMNA 3593/4885TDP1 686/4885GRM5 311/4885

“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.