SCHEMBL13263183

SCHEMBL13263183

Cc1c(F)cccc1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
MCHR1 Q99705 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 1/20 0.38
ACHE P22303 2/20 0.37
GRM5 P41594 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
KCNH2 Q12809 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 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
SCHEMBL19612313 0.84 MCHR1 (0.46) MCHR1IRAK4ALDH1A1CA1CA2
SCHEMBL900886 0.83 KMT2A (0.44) KCNN4ALDH1A1GAAACHELMNA
Hydrochloric Acid SCHEMBL1290809 0.82 ALDH1A1 (0.38) ALDH1A1GAAACHENPSR1LMNA
SCHEMBL11916618 0.81 SLC6A2 (0.43) KCNN4MCHR1IRAK4ALDH1A1CA1
SCHEMBL17070600 0.80 ALDH1A1 (0.53) KCNN4IRAK4ALDH1A1GAAACHE
SCHEMBL104729 0.80 ALDH1A1 (0.53) KCNN4IRAK4ALDH1A1GAAACHE
SCHEMBL16606250 0.79 MCHR1 (0.40) KCNN4MCHR1IRAK4ALDH1A1CA1
SCHEMBL3720870 0.78 MAPT (0.47) MCHR1IRAK4ALDH1A1CA1CA2
SCHEMBL104947 0.78 MCHR1 (0.46) KCNN4MCHR1IRAK4ALDH1A1CA1
SCHEMBL104736 0.78 IRAK4 (0.42) KCNN4MCHR1IRAK4ALDH1A1CA1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112759541-B Indole-like derivatives and uses thereof 复旦大学 2023-03-17 CN disclosed
CN-112759541-A Indole-like derivatives and uses thereof 复旦大学 2021-05-07 CN disclosed
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-01-08 US disclosed
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
US-9963456-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD (JP) 2018-05-08 US disclosed
US-9963456-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD (JP) 2018-05-08 US disclosed
EP-3103802-B1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO LTD (JP) 2017-11-08 EP disclosed
WO-2017111074-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND 大鵬薬品工業株式会社 2017-06-29 WO disclosed
US-20170066772-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-03-09 US disclosed
EP-3103802-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT Taiho Pharmaceutical Co., Ltd. (JP) 2016-12-14 EP disclosed
WO-2015199136-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT 大鵬薬品工業株式会社 2015-12-30 WO disclosed
EP-2166847-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-8293721-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARPE & DOHME CORP. (US) 2012-10-23 US disclosed
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME LLC 2010-07-22 US disclosed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 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 (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-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 KCNN4 1159/4885MCHR1 98/4885IRAK4 3195/4885
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP KCNN4 4363/4885MCHR1 4660/4885IRAK4 1026/4885
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 KCNN4 3375/4885MCHR1 4608/4885IRAK4 2192/4885
US-20170066772-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT WASHC5, NME1, NHERF1 KCNN4 2984/4885MCHR1 4583/4885IRAK4 2893/4885
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 KCNN4 3375/4885MCHR1 4608/4885IRAK4 2192/4885

“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.