SCHEMBL1099314

SCHEMBL1099314

CN1CCCC(CC[O])C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 3/20 0.38
CHRM2 P08172 2/20 0.38
ADRA2A P08913 2/20 0.38
CHRM1 P11229 2/20 0.38
DRD1 P21728 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
ADRA1A P35348 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
ABCB11 O95342 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
PTGS1 P23219 1/20 0.38
ADRA1D P25100 1/20 0.38

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
SCHEMBL5956249 1.00 SMN1; SMN2 (0.39) SMN1; SMN2KCNH2CHRM2ADRA2ACHRM1
SCHEMBL1098647 0.88 SMN1; SMN2 (0.40) SMN1; SMN2KCNH2CHRM2ADRA2ACHRM1
SCHEMBL2385653 0.86
SCHEMBL7355022 0.86 SMN1; SMN2 (0.39) SMN1; SMN2KCNH2CHRM2ADRA2ACHRM1
SCHEMBL4383953 0.83 SMN1; SMN2 (0.39) SMN1; SMN2KCNH2CHRM2ADRA2ACHRM1
SCHEMBL375489 0.82
SCHEMBL27814598 0.82
SCHEMBL24477569 0.80 DRD1 (0.39) SMN1; SMN2KCNH2CHRM2ADRA2ACHRM1
SCHEMBL4293041 0.80 DRD1 (0.39) SMN1; SMN2KCNH2CHRM2ADRA2ACHRM1
SCHEMBL23707762 0.80 DRD1 (0.39) SMN1; SMN2KCNH2CHRM2ADRA2ACHRM1

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 225 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029409-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-02-02 US claimed
US-9499522-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2016-11-22 US claimed
US-20140296206-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2014-10-02 US claimed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP claimed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP claimed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP claimed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US claimed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US claimed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US claimed
WO-2002034744-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-05-02 WO claimed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO claimed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO claimed
WO-2002000644-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2002-01-03 WO claimed
WO-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 WO claimed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP claimed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO claimed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20140296206-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, APC, CKMT1A; CKMT1B SMN1; SMN2 194/4885KCNH2 1622/4885CHRM2 4361/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 SMN1; SMN2 3491/4885KCNH2 1172/4885CHRM2 300/4885
US-20170029409-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, APC, CKMT1A; CKMT1B SMN1; SMN2 194/4885KCNH2 1622/4885CHRM2 4361/4885
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 SMN1; SMN2 2234/4885KCNH2 833/4885CHRM2 981/4885

“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.