SCHEMBL3720237

SCHEMBL3720237

COc1cc(N(C)CCO)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYBB P04839 2/20 0.42
NOX4 Q9NPH5 2/20 0.42
NTSR1 P30989 5/20 0.39
HTT P42858 1/20 0.39
APP P05067 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
DHFR P00374 1/20 0.36
ADRA2B P18089 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL3311194 0.91 ALDH1A1 (0.42) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL16003394 0.85 ALDH1A1 (0.49) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL30378305 0.85 ALDH1A1 (0.49) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL3315110 0.85 ALDH1A1 (0.49) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL30682408 0.84 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL31049787 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL18690528 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL16003519 0.82 CYBB (0.42) ALDH1A1CYBBNOX4NTSR1MTNR1A
SCHEMBL3312302 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL17414788 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961750-A1 SUBSTITUTED 7-OXO-PYRIDO [2, 3-D]PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF EGFR / ERBB2 RELATED DISORDERS Amgen Inc. (US) 2016-01-06 EP disclosed
WO-2014134308-A1 SUBSTITUTED 7-OXO-PYRIDO [2, 3-D] PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF EGFR / ERBB2 RELATED DISORDERS AMGEN INC. (US) 2014-09-04 WO disclosed
WO-2014134308-A1 SUBSTITUTED 7-OXO-PYRIDO [2, 3-D] PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF EGFR / ERBB2 RELATED DISORDERS AMGEN INC. (US) 2014-09-04 WO disclosed
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
EP-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP disclosed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
CN-102459264-A Pyrimidine inhibitors of kinase activity ABBOTT LAB 2012-05-16 CN disclosed
CN-102459265-A Pyrimidine inhibitors of kinase activity ABBOTT LAB 2012-05-16 CN disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 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 (2 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-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 ALDH1A1 1481/4885CYP3A4 3650/4885TDP1 309/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 ALDH1A1 982/4885CYP3A4 3939/4885TDP1 345/4885

“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.