SCHEMBL17757802

SCHEMBL17757802

Clc1cccc2c1N=C(NCc1ccccc1)C1(CCNCC1)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 3/20 0.43
▸ CCNT1 O60563 5/20 0.38
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ CDK9 P50750 5/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ P2RX7 Q99572 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ACHE P22303 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
SCHEMBL17757791 0.90 ACAT2 (0.49) ACAT2CCNT1CDK9P2RX7KMT2A
SCHEMBL17757798 0.87 ACAT2 (0.40) ACAT2CCNT1CDK9CYP2C19TSHR
SCHEMBL17757804 0.86 ACAT2 (0.41) ACAT2CCNT1CYP2C19TSHRCYP1A2
SCHEMBL17757810 0.84 TACR1 (0.36) ACAT2CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL17757805 0.83 ACAT2 (0.37) ACAT2CCNT1MAPK11MAPK14CDK9
SCHEMBL17757203 0.82 ACAT2 (0.38) ACAT2CYP2C19TSHRMAPK1ALDH1A1
SCHEMBL17757207 0.82 ACAT2 (0.39) ACAT2CCNT1CDK9CYP2C19TSHR
SCHEMBL17757890 0.80 PDE7A (0.38) ACAT2CCNT1CYP2C19CYP3A4P2RX7
SCHEMBL17757794 0.80 ACAT2 (0.47) ACAT2CCNT1CDK9KMT2AMAOB
SCHEMBL17757786 0.80 ACAT2 (0.47) ACAT2CCNT1CDK9KMT2AMAOB

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-3021847-B1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2023-06-07 — — EP disclosed
US-RE48992-E1 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2022-03-29 — — US disclosed
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 — — US disclosed
US-9802956-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MUNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2017-10-31 — — US disclosed
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN (DE) 2016-08-04 — — US disclosed
WO-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 — — 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 (2 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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1935/4885CCNT1 4252/4885MAPK11 1032/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885CCNT1 4420/4885MAPK11 1113/4885

“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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