SCHEMBL91989

SCHEMBL91989

COc1cc(OC)c(Cl)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
NPC1 O15118 1/20 0.52
TAAR1 Q96RJ0 2/20 0.44
ACHE P22303 2/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSP90AA1 P07900 2/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
CCR6 P51684 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HPGD P15428 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 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
SCHEMBL92052 0.90 GAA (0.52) GAANPC1TAAR1ACHEALDH1A1
SCHEMBL383766 0.87 GAA (0.54) GAANPC1TAAR1ACHEALDH1A1
SCHEMBL12706044 0.87 GAA (0.43) GAANPC1TAAR1ACHEALDH1A1
SCHEMBL3754009 0.85 GLA (0.52) GAANPC1TAAR1ALDH1A1MAPT
SCHEMBL16609990 0.84 GAA (0.68) GAANPC1TAAR1ACHEALDH1A1
SCHEMBL14094922 0.83 CYP2C19 (0.46) GAAALDH1A1MAPTMAPK1NPSR1
SCHEMBL13855833 0.82 PGK1 (0.42) GAANPC1TAAR1ACHEALDH1A1
SCHEMBL30487990 0.81 GAA (0.65) GAANPC1TAAR1ACHEALDH1A1
SCHEMBL27952777 0.81 GAA (0.65) GAANPC1TAAR1ACHEALDH1A1
SCHEMBL12330214 0.81 TAAR1 (0.48) TAAR1ACHEALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2930170-B1 PYRIDONE COMPOUND FOR USE IN THE TREATMENT OF DERMATOLOGICAL DISORDERS KYOWA KIRIN CO LTD (JP) 2020-02-05 EP disclosed
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2018-05-10 US disclosed
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2018-05-10 US disclosed
EP-2509600-B1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-9643952-B2 Pyridone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-05-09 US disclosed
US-9643952-B2 Pyridone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-05-09 US disclosed
US-9598432-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2016-10-20 US disclosed
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2016-10-20 US disclosed
US-20150315172-A1 PYRIDONE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-11-05 US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 US disclosed
WO-2009049736-A2 DIKETOPYRROLOPYRROLE PIGMENT COMPOSITION FOR USE IN COLOR FILTERS CLARIANT FINANCE (BVI) LIMITED (VG) 2009-04-23 WO disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 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 (6 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-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 GAA 2103/4885NPC1 2237/4885TAAR1 3560/4885
US-20150315172-A1 PYRIDONE COMPOUND HRH4, HRH3, HRH1 GAA 4746/4885NPC1 4056/4885TAAR1 1215/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R GAA 893/4885NPC1 3830/4885TAAR1 2323/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 GAA 2103/4885NPC1 2237/4885TAAR1 3560/4885
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 GAA 4754/4885NPC1 3652/4885TAAR1 707/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 GAA 2103/4885NPC1 2237/4885TAAR1 3560/4885

“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.