SCHEMBL7606311

SCHEMBL7606311

COc1cc(NC(C)C)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
CYP3A4 P08684 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
APP P05067 3/20 0.42
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
THRB P10828 2/20 0.37
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL1966606 0.82 SMN1; SMN2 (0.49) ALDH1A1HSD17B10MAPTHTTLMNA
SCHEMBL8211026 0.79 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL1979959 0.79 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL20375229 0.78 GRM4 (0.44) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL11957644 0.78 GRM4 (0.44) ALDH1A1MAPTHTTLMNAL3MBTL1
SCHEMBL28191370 0.78 ALDH1A1 (0.51) ALDH1A1TSHRMAPTLMNASMN1; SMN2
SCHEMBL13393646 0.77 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL14036718 0.77 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10
Hydrochloric Acid SCHEMBL11087037 0.77 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL30236 0.77 ALDH1A1 (0.55) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868723-B2 Mutant-selective EGFR inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-01-16 US disclosed
US-9868723-B2 Mutant-selective EGFR inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-01-16 US disclosed
EP-2637502-B1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2018-01-10 EP disclosed
US-20160332994-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-11-17 US disclosed
US-20160332994-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-11-17 US disclosed
US-9409887-B2 Mutant-selective EGFR inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-09 US disclosed
US-9409887-B2 Mutant-selective EGFR inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-09 US disclosed
US-20150025055-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-20150025055-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-8796255-B2 Mutant-selective EGFR inhibitors and uses thereof Celgene Avilomics Research, Inc (US) 2014-08-05 US disclosed
US-8796255-B2 Mutant-selective EGFR inhibitors and uses thereof Celgene Avilomics Research, Inc (US) 2014-08-05 US disclosed
US-20120157426-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-21 US disclosed
US-20120157426-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-21 US disclosed
WO-2012064706-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-05-18 WO disclosed
US-7371753-B2 Dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 US disclosed
US-7371753-B2 Dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 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-20160332994-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF EGFR, ERBB3, ERBB2 ALDH1A1 4129/4885CYP3A4 4262/4885TDP1 3358/4885
US-20150025055-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF EGFR, ERBB3, ERBB2 ALDH1A1 4129/4885CYP3A4 4262/4885TDP1 3358/4885
US-20120157426-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF EGFR, ERBB3, ERBB2 ALDH1A1 4129/4885CYP3A4 4262/4885TDP1 3358/4885

“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.