SCHEMBL12286240

SCHEMBL12286240

CC1=CCN(CCN)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
PNMT P11086 1/20 0.36
PRMT3 O60678 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT1 Q99873 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SIGMAR1 Q99720 3/20 0.33
ADORA2A P29274 1/20 0.33
HTR1A P08908 2/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
HTR6 P50406 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
SCHEMBL11490817 0.89 SIGMAR1 (0.39) SIGMAR1
SCHEMBL10296634 0.84 ADORA2A (0.35) SIGMAR1ADORA2AHTR1AHTR6
SCHEMBL13564385 0.82 HTR6 (0.42) PNMTSIGMAR1HTR6
SCHEMBL19454511 0.80 ALDH1A1 (0.35) ALDH1A1SIGMAR1HTR1A
Ammonia Solution, Strong SCHEMBL11490821 0.80 HTR6 (0.41) PNMTSIGMAR1HTR6
SCHEMBL24784974 0.77 LMNA (0.40) ALDH1A1SIGMAR1ADORA2AHTR1AHTR6
SCHEMBL16020306 0.77 ALOX15 (0.38) ALOX15PNMTPRMT3CARM1PRMT6
SCHEMBL16020345 0.77 CARM1 (0.45) CARM1PRMT6PRMT1PRMT8SIGMAR1
SCHEMBL14243077 0.77 ALDH1A1 (0.36) ALDH1A1SIGMAR1HTR1ACCNT1CDK9
SCHEMBL13955303 0.77 KCNA3 (0.35) SIGMAR1ADORA2AHTR1A

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-2710018-B1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2021-12-29 EP disclosed
US-9808466-B2 Macrocyclic compounds as protein kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III 2017-11-07 US disclosed
US-20160296528-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2016-10-13 US disclosed
WO-2012156756-A2 NEW COMPOUNDS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-11-22 WO disclosed
US-8022206-B2 Furo[3,2-C]pyridines OSI Pharmaceuticals, LLC (US) 2011-09-20 US disclosed
US-8022206-B2 Furo[3,2-C]pyridines OSI Pharmaceuticals, LLC (US) 2011-09-20 US disclosed
WO-2009100282-A1 FURO-AND THIENO[3,2-C] PYRIDINES OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197864-A1 Furo- and Thieno [3,2-c] Pyridines OSI PHARMACEUTICALS, INC. 2009-08-06 US disclosed
US-20090197864-A1 Furo- and Thieno [3,2-c] Pyridines OSI PHARMACEUTICALS, INC. 2009-08-06 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 (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-20090197864-A1 Furo- and Thieno [3,2-c] Pyridines RET, MET, ERBB2 ALOX15 2883/4885PNMT 1632/4885PRMT3 105/4885
US-20160296528-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS PIM1, PIM3, PIM2 ALOX15 4327/4885PNMT 4030/4885PRMT3 192/4885

“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.