SCHEMBL345830

SCHEMBL345830

CN(C)Cc1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.43
TACR1 P25103 7/20 0.41
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
LSS P48449 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
IDO1 P14902 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ACP1 P24666 1/20 0.35
GSR P00390 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SERPINE1 P05121 1/20 0.34

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
SCHEMBL13451382 0.86 TACR1 (0.49) TACR1ALDH1A1LMNAGAATSHR
SCHEMBL19023363 0.83 CYP2C19 (0.47) SLC6A4ALDH1A1LMNAGAATSHR
SCHEMBL13475403 0.80 HRH3 (0.46) ALDH1A1LMNAGAATSHRHRH3
SCHEMBL10104524 0.79 TACR1 (0.41) TACR1ALDH1A1LMNAGAATSHR
SCHEMBL15078647 0.79 TACR1 (0.41) SLC6A4TACR1ALDH1A1LMNAGAA
SCHEMBL15077170 0.79 CYP2C19 (0.47) TACR1ALDH1A1LMNAGAATSHR
SCHEMBL17233162 0.79 TACR1 (0.36) SLC6A4TACR1NOTUMIDO1ACP1
SCHEMBL17233164 0.79 TACR1 (0.36) SLC6A4TACR1NOTUMIDO1ACP1
SCHEMBL29656649 0.79 NOTUM (0.51) SLC6A4TACR1NOTUMLMNAIDO1
SCHEMBL6467338 0.79 NOTUM (0.51) SLC6A4TACR1NOTUMLMNAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 US disclosed
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 US disclosed
CN-116601150-A Fused bicyclic RAF inhibitors and methods of use thereof 爵士制药爱尔兰有限公司 2023-08-15 CN disclosed
WO-2022023447-A2 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2022-02-03 WO disclosed
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-05-05 US disclosed
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2019-05-09 US disclosed
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 US disclosed
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 US disclosed
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 US disclosed
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2015-03-26 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
WO-2011146591-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 WO disclosed
WO-2011146591-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 WO disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 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 (8 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 SLC6A4 3620/4885TACR1 2364/4885NOTUM 3968/4885
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof BRAF, RAF1, NRAS SLC6A4 3640/4885TACR1 4642/4885NOTUM 3311/4885
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors JAK2, JAK1, JAK3 SLC6A4 4861/4885TACR1 4025/4885NOTUM 3502/4885
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 SLC6A4 352/4885TACR1 2509/4885NOTUM 2006/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 SLC6A4 4861/4885TACR1 4025/4885NOTUM 3502/4885
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 SLC6A4 3432/4885TACR1 2273/4885NOTUM 3925/4885
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 SLC6A4 352/4885TACR1 2509/4885NOTUM 2006/4885
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 SLC6A4 4861/4885TACR1 4025/4885NOTUM 3502/4885

“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.