SCHEMBL10191694

SCHEMBL10191694

CCCn1cc2c(n1)CC/C(=C/N(C)C)C2=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ AMY1A P0DUB6 1/20 0.32
▸ TOP2A P11388 1/20 0.30

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 0.89 KDM4E (0.36) KDM4EMEN1KMT2A
SCHEMBL10191704 0.88 IKBKB (0.43) IKBKBKDM4EMEN1KMT2A
SCHEMBL10191696 0.82 KDM4E (0.39) KDM4EMEN1KMT2A
SCHEMBL10191680 0.82 KDM4E (0.35) KDM4EMEN1KMT2A
SCHEMBL10191419 0.80 HTR2C (0.41) IKBKBKDM4EMEN1KMT2AAMY1A
SCHEMBL10191692 0.74 ALDH1A1 (0.43) KDM4EMEN1KMT2A
SCHEMBL10191409 0.70 ELANE (0.46) IKBKBKDM4E
SCHEMBL10191734 0.68 IGF1R (0.36) —
SCHEMBL10192463 0.68 IGF1R (0.31) —
SCHEMBL10191416 0.68 RECQL (0.30) —

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 IKBKB 2397/4885KDM4E 2540/4885MEN1 661/4885

“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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