SCHEMBL10191680

SCHEMBL10191680

CCn1cc2c(n1)CCC/C(=C/N(C)C)C2=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ELANE P08246 1/20 0.32

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
SCHEMBL10191699 0.92 KDM4E (0.36) KDM4EMEN1KMT2AALDH1A1HTR1A
SCHEMBL10191692 0.82 ALDH1A1 (0.43) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL10191694 0.82 IKBKB (0.39) KDM4EMEN1KMT2A
SCHEMBL10191704 0.78 IKBKB (0.43) KDM4EMEN1KMT2A
SCHEMBL10192403 0.75 ELANE (0.48) KDM4EALDH1A1GAAHTR1ADRD2
SCHEMBL10191419 0.75 HTR2C (0.41) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL10191696 0.73 KDM4E (0.39) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL10191730 0.66 ALDH1A1 (0.38) ALDH1A1GAALMNAMAPTHTT
SCHEMBL10191693 0.65 ALDH1A1 (0.46) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL17682605 0.65 HTT (0.54) KMT2AALDH1A1GAAHTT

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 KDM4E 2540/4885MEN1 661/4885KMT2A 2881/4885

“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.

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