SCHEMBL4014797

SCHEMBL4014797

N#Cc1ccccc1SCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.59
MAOB P27338 3/20 0.59
POLB P06746 2/20 0.55
CTSB P07858 1/20 0.48
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 3/20 0.44
PPARG P37231 2/20 0.44
NCOA2 Q15596 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL2852956 0.81 POLB (0.55) MAOAMAOBPOLBCTSBALDH1A1
SCHEMBL223271 0.81 POLB (0.55) MAOAMAOBPOLBCTSBALDH1A1
SCHEMBL29900511 0.80 ALDH1A1 (0.60) MAOAMAOBPOLBCTSBALDH1A1
SCHEMBL20872955 0.80 MAOA (0.54) MAOAMAOBPOLBALDH1A1L3MBTL1
SCHEMBL10470690 0.80 MAOA (0.50) MAOAMAOBPOLBCTSBALDH1A1
SCHEMBL23092695 0.80 ALDH1A1 (0.60) MAOAMAOBPOLBCTSBALDH1A1
SCHEMBL18864972 0.80 MAOB (0.58) MAOAMAOBPOLBCTSBALDH1A1
SCHEMBL22804940 0.80 MAOB (0.58) MAOAMAOBPOLBALDH1A1L3MBTL1
SCHEMBL2425637 0.80 MAOB (0.58) MAOAMAOBPOLBALDH1A1L3MBTL1
SCHEMBL12777967 0.80 MAOB (0.58) MAOAMAOBPOLBCTSBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483247-B1 ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2009-06-24 EP claimed
US-7229993-B2 Aryl substituted pyrimidines and the use thereof EURO-CELTIQUE S.A. (LU) 2007-06-12 US claimed
CN-1646500-A Aryl substituted pyrimidines and the use thereof EURO CELTIQUE SA (LU) 2005-07-27 CN claimed
EP-1483247-A2 ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2004-12-08 EP claimed
US-20030236273-A1 Aryl substituted pyrimidines and the use thereof EURO-CELTIQUE S.A. 2003-12-25 US claimed
WO-2003076414-A2 ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF EURO-CELTIQUE S.A. (US) 2003-09-18 WO claimed
CN-103906518-B Malignant and non-malignant disease treatment using RAS antagonists 派西斯治疗有限责任公司 2020-03-13 CN disclosed
US-9738614-B2 Malignant and non-malignant disease treatment with Ras antagonists PISCES THERAPEUTICS, LLC (US) 2017-08-22 US disclosed
EP-2763681-B1 MALIGNANT AND NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS PISCES THERAPEUTICS LLC (US) 2017-08-16 EP disclosed
CN-103709163-B Xanthine derivative, Preparation Method And The Use 齐鲁制药有限公司 2016-12-21 CN disclosed
US-20160207891-A1 MALIGNANT AND NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS PISCES THERAPEUTICS, LLC (US) 2016-07-21 US disclosed
US-9309203-B2 Malignant and non-malignant disease treatment with Ras antagonists PISCES THERAPEUTICS, LLC (US) 2016-04-12 US disclosed
US-20140249163-A1 MALIGNANT AND NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS PICES THERAPEUTICS LLC (US) 2014-09-04 US disclosed
EP-2763681-A1 MALIGNANT AND NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS Pisces Therapeutics LLC (US) 2014-08-13 EP disclosed
CN-103906518-A Malignant and non-malignant disease treatment using RAS antagonists PISCES THERAPEUTICS LLC 2014-07-02 CN disclosed
CN-103709163-A Xanthine derivative, preparation method thereof and uses thereof QILU PHARMACEUTICAL CO LTD 2014-04-09 CN disclosed
WO-2013052765-A1 MALIGNANT AND NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS PISCES THERAPEUTICS LLC (US) 2013-04-11 WO disclosed
EP-0915850-A1 NOVEL CARBOCYCLIC DIARYLMETHYLENE DERIVATIVES, METHODS FOR PREPARING SAME, AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1999-05-19 EP disclosed
WO-1998005643-A1 NOVEL CARBOCYCLIC DIARYLMETHYLENE DERIVATIVES, METHODS FOR PREPARING SAME, AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1998-02-12 WO disclosed
US-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 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 (3 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-20140249163-A1 MALIGNANT AND NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS HRAS, KRAS, NRAS MAOA 3569/4885MAOB 3225/4885POLB 2087/4885
US-20160207891-A1 MALIGNANT AND NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS HRAS, KRAS, NRAS MAOA 3569/4885MAOB 3225/4885POLB 2087/4885
US-20030236273-A1 Aryl substituted pyrimidines and the use thereof CACNA1S, CACNA1C, NCS1 MAOA 1406/4885MAOB 836/4885POLB 1197/4885

“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.