SCHEMBL9219255

SCHEMBL9219255

CC(=O)C1C(=O)CCCCC1=O

nearest known ligand 0.90

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.39
MCL1 Q07820 1/20 0.36
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL170644 0.94 CA1 (0.39) CA1CA2CA4KMT2AHTT
Zinc Ion SCHEMBL31034476 0.92 CA1 (0.37) CA1CA2CA4KMT2AHTT
SCHEMBL1743259 0.88 TLR4 (0.32) CA1CA2CA4ALDH1A1MAPT
SCHEMBL14249873 0.78 KMT2A (0.48) CA1CA2CA4KMT2AHTT
SCHEMBL5269268 0.78 KMT2A (0.48) CA1CA2CA4KMT2AHTT
Tromethamine SCHEMBL14799414 0.77 MEN1 (0.37) KMT2AALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL11055947 0.75 KMT2A (0.33) CA1CA2CA4KMT2AHTT
SCHEMBL63339 0.75 MCL1 (0.53) CA1CA2CA4KMT2AHTT
SCHEMBL4264381 0.74 CRBN (0.39)
SCHEMBL6914585 0.74 MCL1 (0.52) CA1CA2CA4KMT2AHTT

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 9 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
EP-0276833-B1 Dipyrazoles useful as bronchodilators MERRELL DOW PHARMA (US) 1995-02-15 EP disclosed
EP-0276833-A2 Dipyrazoles useful as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-03 EP disclosed
US-4734430-A Dipyrazoles and their use as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-29 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 (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 CA1 4639/4885CA2 2004/4885CA4 3535/4885

“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.