SCHEMBL1908511

SCHEMBL1908511

CC(C)(C)c1ccnc(CN)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
ALDH1A1 P00352 5/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LOXL2 Q9Y4K0 7/20 0.35
LOX P28300 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTR1D P28221 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
LOXL3 P58215 1/20 0.34
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL17411781 0.85 HCRTR1 (0.39) POLBLOXL2LOXNOS3NOS2
Hydrochloric Acid SCHEMBL29289897 0.83 HCRTR1 (0.39) POLBLOXL2LOXNOS3NOS2
SCHEMBL17300710 0.82 HRH1 (0.42) KIF11ALDH1A1POLBMEN1KMT2A
SCHEMBL1908532 0.82 POLB (0.46) KIF11ALDH1A1POLBMEN1KMT2A
SCHEMBL19214824 0.81 KIF11 (0.37) KIF11ALDH1A1POLBMEN1KMT2A
SCHEMBL1443247 0.80 NOS3 (0.57) ALDH1A1LOXL2LOXGAANOS3
SCHEMBL8532984 0.80 KIF11 (0.39) KIF11ALDH1A1POLBMEN1KMT2A
SCHEMBL10034535 0.80 KIF11 (0.39) KIF11ALDH1A1POLBMEN1KMT2A
SCHEMBL21923243 0.80 KIF11 (0.39) KIF11ALDH1A1POLBMEN1KMT2A
SCHEMBL4873805 0.80 KIF11 (0.39) KIF11ALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
EP-2710018-B1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2021-12-29 EP disclosed
US-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed
US-9808466-B2 Macrocyclic compounds as protein kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III 2017-11-07 US disclosed
US-9808466-B2 Macrocyclic compounds as protein kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III 2017-11-07 US disclosed
EP-2836486-B1 DIAMINOPYRIMIDINES USEFUL AS INHIBITORS OF THE HUMAN RESPIRATORY SYNCYTIAL VIRUS (RSV) ABBVIE INC (US) 2017-10-04 EP 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
US-9447051-B2 Diaminopyrimidines and uses thereof ABBVIE INC. (US) 2016-09-20 US disclosed
US-9284334-B2 Macrocyclic compounds as protein kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2016-03-15 US disclosed
US-20150025095-A1 Diaminopyrimidines And Uses Thereof ABBVIE INC. 2015-01-22 US disclosed
WO-2009024615-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-02-26 WO disclosed
US-7482357-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 US disclosed
US-7482357-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 US disclosed
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
US-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 WO disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 US disclosed
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 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 (5 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-20150025095-A1 Diaminopyrimidines And Uses Thereof DPYD, POLI, POLRMT KIF11 3976/4885ALDH1A1 2092/4885POLB 8/4885
US-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB KIF11 3357/4885ALDH1A1 2571/4885POLB 165/4885
US-20160296528-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS PIM1, PIM3, PIM2 KIF11 3555/4885ALDH1A1 4625/4885POLB 2147/4885
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 KIF11 4884/4885ALDH1A1 1267/4885POLB 3281/4885
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP KIF11 3880/4885ALDH1A1 2631/4885POLB 356/4885

“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.