SCHEMBL3847734

SCHEMBL3847734

CN1CCN(c2ccnc3ccc(Br)cc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.70
HTT P42858 5/20 0.62
MAPKAPK2 P49137 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HRH4 Q9H3N8 1/20 0.46
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
SLC22A12 Q96S37 1/20 0.43
APP P05067 1/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL29472100 0.86 NCF1 (0.76) NCF1HTTALDH1A1NPSR1SLC22A12
SCHEMBL22715673 0.86 NCF1 (0.76) NCF1HTTALDH1A1NPSR1SLC22A12
SCHEMBL731691 0.85 NCF1 (0.74) NCF1HTTALDH1A1NPSR1SLC22A12
SCHEMBL24151230 0.84 ADRB2 (0.58) NCF1HTTMAPKAPK2MEN1KMT2A
SCHEMBL30734145 0.83 NCF1 (0.67) NCF1HTTMAPKAPK2MEN1KMT2A
SCHEMBL1543989 0.82 NCF1 (0.70) NCF1HTTMAPKAPK2ALDH1A1ADRB2
SCHEMBL3849006 0.82 NCF1 (1.00) NCF1HTTHTR1AHTR1DHTR1B
SCHEMBL12928129 0.82 NCF1 (0.48) NCF1HTTMAPKAPK2MEN1KMT2A
SCHEMBL3947682 0.82 KDM4E (0.51) NCF1HTTMAPKAPK2MEN1KMT2A
SCHEMBL13827009 0.82 NCF1 (0.48) NCF1HTTMAPKAPK2MEN1KMT2A

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11926632-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2024-03-12 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
EP-4167982-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-16 US disclosed
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-16 US disclosed
WO-2021262596-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
WO-2021262596-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 US disclosed
WO-2014151147-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE, LLC (US) 2014-09-25 WO disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 US disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
WO-2012116237-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2012-08-30 WO disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP 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 (6 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB NCF1 1581/4885HTT 683/4885MAPKAPK2 132/4885
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS NCF1 374/4885HTT 2757/4885MAPKAPK2 1013/4885
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NCF1 1581/4885HTT 683/4885MAPKAPK2 132/4885
US-11926632-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS NCF1 374/4885HTT 2757/4885MAPKAPK2 1013/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB NCF1 1581/4885HTT 683/4885MAPKAPK2 132/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 NCF1 1470/4885HTT 985/4885MAPKAPK2 193/4885

“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.