SCHEMBL10192802

SCHEMBL10192802

COc1ccccc1C(=O)C1=C(Cl)CCCC1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CTSD P07339 1/20 0.41
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.41
BCL2L11 O43521 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
RORC P51449 2/20 0.39
RORB Q92753 2/20 0.39
MAPK14 Q16539 1/20 0.39
PIN1 Q13526 1/20 0.39
STS P08842 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL10192817 0.81 TP53 (0.40) HTTALDH1A1MAPK14RAB9ASMN1; SMN2
SCHEMBL10192813 0.81 KMT2A (0.46) HTTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10192405 0.77 KMT2A (0.46) LMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL10192410 0.76 P2RX7 (0.41) HTTALDH1A1HPGDL3MBTL1
SCHEMBL10192426 0.76 RAB9A (0.47) HTTALDH1A1CHRM1LMNAHPGD
SCHEMBL4284446 0.74 HPGD (0.53) ALDH1A1LMNAHPGDRAB9ASMN1; SMN2
SCHEMBL10192812 0.74 ALDH1A1 (0.43) ALDH1A1LMNAMCL1HPGDRAB9A
SCHEMBL10192804 0.73 RAB9A (0.38) ALDH1A1LMNAMCL1HPGDRAB9A
SCHEMBL10192814 0.73 RAB9A (0.36) ALDH1A1LMNAHPGDRAB9ASMN1; SMN2
SCHEMBL322168 0.73 CTSD (0.62) HTTCHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595987-B1 NEW AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed
US-8735386-B2 Aminopyrazoloquinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-8735386-B2 Aminopyrazoloquinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-20120238542-A1 AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-20 US disclosed
US-20120238542-A1 AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-20 US disclosed
WO-2012010704-A1 NEW AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-26 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 (1 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-20120238542-A1 AMINOPYRAZOLOQUINAZOLINES CCNT1, CCNI, MKI67 HTT 4366/4885ALDH1A1 401/4885CHRM2 575/4885

“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.