SCHEMBL657281

SCHEMBL657281

[c]1snnc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDO2 P48775 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.35
NOTUM Q6P988 3/20 0.33
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
PDPK1 O15530 1/20 0.30
ATM Q13315 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
SCHEMBL16863673 0.78 NOTUM (0.37) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3652642 0.57 NPC1 (1.00) RAB9ANPC1MAPK1KMT2ASMN1; SMN2
SCHEMBL3619254 0.57 ALDH1A1 (0.44) RAB9ANPC1MAPK1KMT2AMEN1
Biphenyl SCHEMBL28890607 0.57 ALDH1A1 (1.00) RAB9ANPC1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL29560186 0.57 ALDH1A1 (1.00) RAB9ANPC1MAPK1SMN1; SMN2ALDH1A1
Biphenyl SCHEMBL4002609 0.57 ALDH1A1 (1.00) RAB9ANPC1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL30629023 0.57 ALDH1A1 (1.00) RAB9ANPC1MAPK1SMN1; SMN2ALDH1A1
Biphenyl SCHEMBL2548048 0.57 ALDH1A1 (1.00) RAB9ANPC1MAPK1SMN1; SMN2ALDH1A1
Biphenyl SCHEMBL1358618 0.57 ALDH1A1 (1.00) RAB9ANPC1MAPK1SMN1; SMN2ALDH1A1
Biphenyl SCHEMBL164 0.57 ALDH1A1 (1.00) RAB9ANPC1MAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP claimed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP claimed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US claimed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US claimed
EP-1836211-A1 MACROLIDES Pfizer Products Incorporated (US) 2007-09-26 EP claimed
CN-1274670-C Diaminopropionic acid derivatives HOFFMANN LA ROCHE (CH) 2006-09-13 CN claimed
WO-2006067589-A1 MACROLIDES PFIZER PRODUCTS INC. (US) 2006-06-29 WO claimed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP claimed
US-20040019039-A1 Substituted piperazines and diazepanes HIGH POINT PHARMACEUTICALS, LLC 2004-01-29 US claimed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 WO claimed
US-4978362-A Thermoplastic resin composition containing polyalkyleneoxy-substituted azo coloring agents having trifluoromethyl substituents MILLIKEN RESEARCH CORPORATION (US) 1990-12-18 US claimed
US-4751254-A COLORING POLURETHANES USING POLYALKOXYTRIFLUOROANILINE COMPOUNDS MILLIKEN RESEARCH CORPORATION (US) 1988-06-14 US claimed
US-20240101545-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER GUANGZHOU INNOCARE PHARMA TECH CO LTD (CN) 2024-03-28 US disclosed
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer Guangzhou Innocare Pharma Tech Co., Ltd (CN) 2023-12-12 US disclosed
US-20220298153-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER GUANGZHOU INNOCARE PHARMA TECH CO LTD (CN) 2022-09-22 US disclosed
US-11345695-B2 Substituted nicotinimide inhibitors of BTK and their preparation and use in the treatment of cancer, inflammation and autoimmune disease GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2022-05-31 US disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 WO disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed
WO-2002050092-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed
WO-2002006270-A1 NOVEL 6-HETEROARYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2002-01-24 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 RAB9A 3209/4885NPC1 1743/4885MAPK1 3802/4885
US-11345695-B2 Substituted nicotinimide inhibitors of BTK and their preparation and use in the treatment of cancer, inflammation and autoimmune disease BTK, SYK, LYN RAB9A 3209/4885NPC1 4189/4885MAPK1 61/4885
US-20220298153-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER BTK, SYK, LYN RAB9A 2872/4885NPC1 3638/4885MAPK1 125/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 RAB9A 3209/4885NPC1 1743/4885MAPK1 3802/4885
US-20240101545-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER BTK, SYK, LYN RAB9A 2872/4885NPC1 3638/4885MAPK1 125/4885
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer BTK, SYK, LYN RAB9A 2872/4885NPC1 3638/4885MAPK1 125/4885

“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.