SCHEMBL4473781

SCHEMBL4473781

CN(C)c1ccc(CCI)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ TSHR P16473 3/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ ALOX15 P16050 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ CALM1 P0DP23 2/20 0.52
▸ CHKA P35790 3/20 0.48
▸ HPGD P15428 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ APP P05067 1/20 0.46
▸ TP53 P04637 1/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL7547741 0.98 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL4475565 0.89 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL4405018 0.87 ALDH1A1 (0.70) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL250522 0.83 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL6310153 0.82 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL21909725 0.82 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL7054521 0.82 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL11391175 0.82 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL11391173 0.82 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL13291025 0.81 APP (0.61) ALDH1A1TSHRCYP3A4MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487841-B1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBVIE INC (US) 2014-01-15 — — EP disclosed
US-7560552-B2 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES (US) 2009-07-14 — — US disclosed
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 — — US disclosed
EP-1487841-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS Abbott Laboratories (US) 2004-12-22 — — EP disclosed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 — — US disclosed
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-12-04 — — US disclosed
WO-2003080625-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 — — WO 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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK ALDH1A1 1463/4885TSHR 2014/4885CYP3A4 2280/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 ALDH1A1 2048/4885TSHR 1514/4885CYP3A4 2721/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK ALDH1A1 1463/4885TSHR 2014/4885CYP3A4 2280/4885

“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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