SCHEMBL270862

SCHEMBL270862

COc1cc(C(C)(C)C)ccc1OCCN1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ RECQL P46063 1/20 0.64
▸ LTA4H P09960 1/20 0.60
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ MCHR1 Q99705 4/20 0.54
▸ POLB P06746 1/20 0.54
▸ PSMB1 P20618 2/20 0.52
▸ PSMB5 P28074 2/20 0.52
▸ PSMB2 P49721 2/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL10254237 0.88 KDM4E (0.59) KDM4ESMN1; SMN2ALDH1A1RECQLCYP2D6
SCHEMBL15187977 0.86 KDM4E (1.00) KDM4ESMN1; SMN2ALDH1A1RECQLCYP1A2
SCHEMBL18308986 0.85 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1RECQLCYP1A2
SCHEMBL10202603 0.83 KDM4E (0.75) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL25745952 0.83 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL10202587 0.83 KDM4E (0.75) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL20204603 0.83 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL17996265 0.82 KDM4E (0.73) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL12781675 0.82 CYP2D6 (0.57) KDM4ESMN1; SMN2ALDH1A1RECQLCYP1A2
SCHEMBL763134 0.81 SMN1; SMN2 (0.71) KDM4ESMN1; SMN2ALDH1A1LTA4HCYP2C19

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-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 — — US disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 — — US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 — — US disclosed
US-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 — — US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 — — US disclosed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 — — US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 — — US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 — — US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 — — US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 — — US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 — — US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 — — 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 (7 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK KDM4E 1356/4885SMN1; SMN2 3530/4885ALDH1A1 3662/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 KDM4E 1689/4885SMN1; SMN2 4746/4885ALDH1A1 3235/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK KDM4E 1205/4885SMN1; SMN2 2568/4885ALDH1A1 4307/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 KDM4E 1689/4885SMN1; SMN2 4746/4885ALDH1A1 3235/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 KDM4E 1689/4885SMN1; SMN2 4746/4885ALDH1A1 3235/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 KDM4E 1689/4885SMN1; SMN2 4746/4885ALDH1A1 3235/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B KDM4E 2719/4885SMN1; SMN2 730/4885ALDH1A1 1825/4885

“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.

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