SCHEMBL773089

SCHEMBL773089

COc1ccc(OCC(O)CN)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ADRA1A P35348 2/20 0.51
ADRA2A P08913 1/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.46
ADRB2 P07550 3/20 0.45
ADRB1 P08588 2/20 0.45
HTR1A P08908 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL11594729 0.86 KMT2A (0.65) KMT2ASMN1; SMN2ADRA1AADRA2ATSHR
SCHEMBL8844964 0.85 TSHR (0.64) KMT2ASMN1; SMN2ADRA1ACA12CA1
SCHEMBL11591226 0.84 CA12 (0.48) KMT2ASMN1; SMN2ADRA1ACA12CA1
SCHEMBL772823 0.82 KMT2A (0.48) KMT2ASMN1; SMN2ADRA1AADRA2ATSHR
SCHEMBL773178 0.82 KMT2A (0.59) KMT2ASMN1; SMN2ADRA1AADRA2ATSHR
SCHEMBL20719974 0.81 CA12 (0.53) KMT2AADRA1AADRA2ACA12CA1
SCHEMBL4944200 0.81 KMT2A (0.57) KMT2ASMN1; SMN2CA1CA2CA7
SCHEMBL4944194 0.81 KMT2A (0.57) KMT2ASMN1; SMN2CA1CA2CA7
SCHEMBL10385434 0.80 CA2 (0.52) KMT2ASMN1; SMN2ADRA1AADRA2ACA12
SCHEMBL772766 0.79 KMT2A (0.56) KMT2ASMN1; SMN2ADRA1AADRA2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 WO disclosed
US-4110472-A CEREBROVASCULAR INSUFFICIENCY, PSYCHOSTIMULATION BAYER AKTIENGESELLSCHAFT (DE) 1978-08-29 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP KMT2A 2169/4885SMN1; SMN2 2866/4885ADRA1A 3834/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP KMT2A 2169/4885SMN1; SMN2 2866/4885ADRA1A 3834/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP KMT2A 2169/4885SMN1; SMN2 2866/4885ADRA1A 3834/4885

“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.