SCHEMBL4434358

SCHEMBL4434358

CCc1cccn2c[c]nc12

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
MGLL Q99685 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4435508 0.82 PNMT (0.31)
SCHEMBL4436859 0.82 NR1I2 (0.33)
SCHEMBL7837454 0.72 KDM4E (0.33)
SCHEMBL15068507 0.72
SCHEMBL16566611 0.71
SCHEMBL4441329 0.71 NR1I2 (0.33) GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL18283243 0.71 NPC1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3314980 0.70 NUDT1 (0.41) GABRA1GABRB2
SCHEMBL6468439 0.69 TP53 (0.40) GABRA1GABRB2MGLLCYP1A2CYP3A4
SCHEMBL14679607 0.68 ALDH1A1 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618981-B2 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide CYTOKINETICS, INC. (US) 2009-11-17 US claimed
US-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2024-02-29 US disclosed
US-20230310651-A1 METHODS FOR MODULATING RNA SPLICING PTC THERAPEUTICS, INC. (US) 2023-10-05 US disclosed
EP-4249472-A2 METHODS FOR MODULATING RNA SPLICING PTC Therapeutics, Inc. (US) 2023-09-27 EP disclosed
US-20230272367-A1 METHODS FOR MODULATING RNA SPLICING PTC THERAPEUTICS, INC. (US) 2023-08-31 US disclosed
EP-3644996-B1 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2023-07-26 EP disclosed
EP-3310169-B1 METHODS FOR MODULATING RNA SPLICING PTC THERAPEUTICS INC (US) 2023-05-17 EP disclosed
US-11602567-B2 Methods for modulating RNA splicing PTC THERAPEUTICS, INC. (US) 2023-03-14 US disclosed
EP-3082820-B1 METHODS FOR MODULATING THE AMOUNT OF RNA TRANSCRIPTS PTC THERAPEUTICS INC (US) 2022-07-20 EP disclosed
US-11382918-B2 Methods for treating Huntington's Disease PTC THERAPEUTICS, INC. (US) 2022-07-12 US disclosed
EP-2819519-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2015-01-07 EP disclosed
US-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2015-01-01 US disclosed
EP-2812004-A2 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-12-17 EP disclosed
EP-2809322-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-12-10 EP disclosed
EP-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP disclosed
WO-2013142236-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-09-26 WO disclosed
WO-2013130689-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-09-06 WO disclosed
WO-2013119916-A2 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-08-15 WO disclosed
WO-2013112788-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-08-01 WO disclosed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 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 (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-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 GABRA1 939/4885GABRB2 160/4885MGLL 4239/4885
US-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 GABRA1 1089/4885GABRB2 171/4885MGLL 3221/4885
US-20230272367-A1 METHODS FOR MODULATING RNA SPLICING RBM17, SNRPE, HNRNPM GABRA1 2091/4885GABRB2 1310/4885MGLL 2995/4885
US-11602567-B2 Methods for modulating RNA splicing RBM17, SNRPE, RBM3 GABRA1 2180/4885GABRB2 1424/4885MGLL 2585/4885
US-20230310651-A1 METHODS FOR MODULATING RNA SPLICING RBM17, SNRPE, RBM3 GABRA1 2180/4885GABRB2 1424/4885MGLL 2585/4885
US-11382918-B2 Methods for treating Huntington's Disease HTT, HYPK, PARK7 GABRA1 3009/4885GABRB2 1760/4885MGLL 1905/4885

“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.