SCHEMBL702161

SCHEMBL702161

CC(C#N)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 1/20 0.45
TSHR P16473 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
KCNA5 P22460 6/20 0.42
KCNH2 Q12809 1/20 0.42
KCNE1 P15382 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM2 P08172 1/20 0.39

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
SCHEMBL29700907 1.00 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AGAASLC6A2
SCHEMBL22275828 1.00 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AGAASLC6A2
SCHEMBL833118 0.79 CYP1A2 (0.46) SMN1; SMN2MEN1KMT2AGAASLC6A2
SCHEMBL22744405 0.79 CYP1A2 (0.46) SMN1; SMN2MEN1KMT2AGAASLC6A2
SCHEMBL19301718 0.79 CYP1A2 (0.46) SMN1; SMN2MEN1KMT2AGAASLC6A2
SCHEMBL2937192 0.78 SLC6A2 (0.48) SMN1; SMN2MEN1KMT2AGAASLC6A2
SCHEMBL5429300 0.78 SLC6A2 (0.48) SMN1; SMN2MEN1KMT2AGAASLC6A2
SCHEMBL17732813 0.78 SLC6A2 (0.44) SMN1; SMN2MEN1KMT2AGAASLC6A2
SCHEMBL17732798 0.78 SLC6A2 (0.44) SMN1; SMN2MEN1KMT2AGAASLC6A2
SCHEMBL11713544 0.76 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AGAASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 US disclosed
CN-115193436-B Nickel-cobalt metal framework catalyst, preparation method and application thereof 山东明化新材料有限公司 2024-01-26 CN disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
US-20230257377-A1 2-AMINOQUINAZOLINONE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. 2023-08-17 US disclosed
CN-115193436-A Nickel-cobalt metal framework catalyst, preparation method and application thereof 山东明化新材料有限公司 2022-10-18 CN disclosed
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 US disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
CN-114685363-A ROR gamma t regulator, preparation method and application thereof 上海医药集团股份有限公司 2022-07-01 CN disclosed
CN-1809576-A Antiparasitic terpene alkaloids PFIZER (US) 2006-07-26 CN disclosed
EP-1659881-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF Senomyx Inc. (US) 2006-05-31 EP disclosed
US-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 US disclosed
EP-1597264-A2 ANTIPARASITIC TERPENE ALKALOIDS Pfizer Limited (GB) 2005-11-23 EP disclosed
WO-2005041684-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC. (US) 2005-05-12 WO disclosed
US-20050084506-A1 Amide compounds such as (R)-methyl 2-(3-chloro-4-methoxybenzamido)-4-methylpentanoate and urea compounds such as 1-(2-chlorophenyl)-3-(heptan-4-yl)urea for modulating taste of food or drug products FIRMENICH INCORPORATED 2005-04-21 US disclosed
WO-2004072086-A2 ANTIPARASITIC TERPENE ALKALOIDS PFIZER LIMITED (GB) 2004-08-26 WO disclosed
CN-1038682-C Cyclic amide compounds, process for their production and their use as herbicides ISHIHARA SANGYO KAISHA (JP) 1998-06-10 CN disclosed
US-4656233-A \"Living\" polymers and chain transfer-regulated polymerization process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-04-07 US disclosed
EP-0186330-A1 \"Living\" polymers and chain transfer-regulated polymerization process E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-07-02 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 (4 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-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA SMN1; SMN2 4471/4885MEN1 2412/4885KMT2A 2075/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 SMN1; SMN2 2560/4885MEN1 1672/4885KMT2A 1575/4885
US-20050084506-A1 Amide compounds such as (R)-methyl 2-(3-chloro-4-methoxybenzamido)-4-methylpentanoate and urea compounds such as 1-(2-chlorophenyl)-3-(heptan-4-yl)urea for modulating taste of food or drug products TAS2R40, TAS2R4, TAS2R30 SMN1; SMN2 3009/4885MEN1 2236/4885KMT2A 833/4885
US-20230257377-A1 2-AMINOQUINAZOLINONE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS MAT2A, MAT2B, MAT1A SMN1; SMN2 2157/4885MEN1 1467/4885KMT2A 87/4885

“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.