SCHEMBL3609013

SCHEMBL3609013

Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA2B P29275 7/20 0.47
ADORA2A P29274 5/20 0.47
ADORA1 P30542 4/20 0.47
ADORA3 P0DMS8 4/20 0.47
ALK Q9UM73 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
SCD5 Q86SK9 1/20 0.46
MAOB P27338 2/20 0.46
IDO1 P14902 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL22639272 0.85 MAPT (0.54) MEN1KMT2AMAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL30744520 0.83 MAOB (0.49) ALDH1A1KDM4EGAAADORA2BADORA2A
SCHEMBL14699380 0.83 MEN1 (0.60) MEN1KMT2AMAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL21492794 0.83 MAOB (0.49) ALDH1A1KDM4EGAAADORA2BADORA2A
SCHEMBL24214370 0.83 ALDH1A1 (0.55) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL30376503 0.83 ALDH1A1 (0.55) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL12003036 0.83 MAOB (0.51) L3MBTL1ADORA2BADORA2AADORA1ADORA3
SCHEMBL23045648 0.82 SCD5 (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL710149 0.82 LMNA (0.67) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2822182 0.82 ALK (0.48) ALDH1A1KDM4EGAAADORA2BADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345954-B1 POLYROTAXANE, PRODUCTION METHOD THEREFOR, AND OPTICAL COMPOSITION CONTAINING SAID POLYROTAXANE TOKUYAMA CORP (JP) 2023-07-05 EP disclosed
US-11578174-B2 Polyrotaxane, production method therefor, and optical composition containing said polyrotaxane TOKUYAMA CORPORATION (JP) 2023-02-14 US disclosed
CN-111154056-B Optical composition containing polyrotaxane 株式会社德山 2021-12-21 CN disclosed
CN-112566636-A Compound and use thereof 优曼尼蒂治疗公司 2021-03-26 CN disclosed
EP-3784234-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-03-03 EP disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
CN-107922605-B Polyrotaxane, process for producing the same, and optical composition containing the same 株式会社德山 2020-12-11 CN disclosed
CN-111154056-A Optical composition containing polyrotaxane 株式会社德山 2020-05-15 CN disclosed
US-20200071467-A1 Polyrotaxane, Production Method Therefor, and Optical Composition Containing said Polyrotaxane TOKUYAMA CORPORATION (JP) 2020-03-05 US disclosed
US-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY PLEXXIKON INC. 2011-09-22 US disclosed
US-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY PLEXXIKON INC. 2011-09-22 US disclosed
CN-102170883-A Compounds useful as inhibitors of protein kinases ABBOTT LAB 2011-08-31 CN disclosed
US-7893075-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON, INC. (US) 2011-02-22 US disclosed
US-7893075-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON, INC. (US) 2011-02-22 US disclosed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 US disclosed
US-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC 2009-03-19 US disclosed
US-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC 2009-03-19 US disclosed
WO-2008064255-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 MEN1 3499/4885KMT2A 3500/4885MAPT 3377/4885
US-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor KIT, FLT3, FLT1 MEN1 1083/4885KMT2A 1017/4885MAPT 4266/4885
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ROCK1, ROCK2, RHOA MEN1 278/4885KMT2A 2451/4885MAPT 1572/4885
US-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 MEN1 1807/4885KMT2A 2479/4885MAPT 22/4885
US-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY KIT, FLT3, FER MEN1 1240/4885KMT2A 852/4885MAPT 4152/4885

“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.