SCHEMBL9980477

SCHEMBL9980477

O=C(O)Cn1cc(C(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.44
AGBL2 Q5U5Z8 1/20 0.39
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
ACHE P22303 1/20 0.37
AR P10275 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
NTRK1 P04629 3/20 0.36
GAA P10253 1/20 0.36
CSF1R P07333 1/20 0.35

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
Hydrochloric Acid SCHEMBL23174782 0.98 PDK2 (0.43) PDK2AGBL2GABRDGABRA1GABRB2
SCHEMBL12986210 0.84 PDK2 (0.45) PDK2GABRDGABRA1GABRB2GABRA4
SCHEMBL10203215 0.84 NR1H4 (0.38) PDK2ACHEHTTGAACSF1R
SCHEMBL23174803 0.82 PDK2 (0.47) PDK2LMNA
SCHEMBL9980439 0.77 POLB (0.44) GAA
SCHEMBL13172345 0.77 KDM4E (0.39) GABRDGABRA1GABRB2GABRA4ACHE
SCHEMBL22781872 0.77 PDK2 (0.43) PDK2
SCHEMBL31456905 0.77 HTT (0.42) PDK2ARHTTLMNAGAA
SCHEMBL2186892 0.76 EPHX2 (0.38) PDK2GABRDGABRA1GABRB2GABRA4
SCHEMBL20703152 0.76 ACHE (0.43) AGBL2GABRDGABRA1GABRB2GABRA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761082-A Azepane derivatives 日本化学药品株式会社 2022-07-15 CN disclosed
WO-2021065898-A1 AZEPAN DERIVATIVE 日本ケミファ株式会社 2021-04-08 WO disclosed
EP-2694509-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN-RELATED KINASES PFIZER LTD (GB) 2016-05-18 EP disclosed
EP-2694509-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN-RELATED KINASES PFIZER LTD (GB) 2016-05-18 EP disclosed
WO-2016051193-A1 COMPOUNDS USEFUL AS CSF1 MODULATORS REDX PHARMA PLC (GB) 2016-04-07 WO disclosed
WO-2016051193-A1 COMPOUNDS USEFUL AS CSF1 MODULATORS REDX PHARMA PLC (GB) 2016-04-07 WO disclosed
US-9163021-B2 Pyrrolo[3,2-c]pyridine tropomyosin-related kinase inhibitors PFIZER LIMITED (GB) 2015-10-20 US disclosed
US-9163021-B2 Pyrrolo[3,2-c]pyridine tropomyosin-related kinase inhibitors PFIZER LIMITED (GB) 2015-10-20 US disclosed
US-9163021-B2 Pyrrolo[3,2-c]pyridine tropomyosin-related kinase inhibitors PFIZER LIMITED (GB) 2015-10-20 US disclosed
US-20150250785-A1 Tropomyosin-Related Kinase Inhibitors PFIZER LIMITED (GB) 2015-09-10 US disclosed
WO-2014053965-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-04-10 WO disclosed
EP-2694509-A1 PYRROLO [2, 3 -D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES Pfizer Limited (GB) 2014-02-12 EP disclosed
CN-103534257-A Pyrrolo [2, 3 -d] pyrimidine derivatives as inhibitors of tropomyosin- related kinases PFIZER 2014-01-22 CN disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 US disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 US disclosed
WO-2012137089-A1 PYRROLO [2, 3 -D] PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES PFIZER LIMITED (GB) 2012-10-11 WO disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 US disclosed
WO-2012137089-A1 PYRROLO [2, 3 -D] PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES PFIZER LIMITED (GB) 2012-10-11 WO disclosed
WO-2011150201-A2 AZOLYL AMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-12-01 WO disclosed
US-20100076087-A1 METHODS OF REDUCTION OF INTERPATIENT VARIABILITY AUSPEX PHARMACEUTICALS, INC. (US) 2010-03-25 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 (3 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-20100076087-A1 METHODS OF REDUCTION OF INTERPATIENT VARIABILITY TPMT, GUSB, CYP2D6 PDK2 2058/4885AGBL2 135/4885GABRD 938/4885
US-20150250785-A1 Tropomyosin-Related Kinase Inhibitors MUSK, TPM3, TNNI3 PDK2 554/4885AGBL2 2130/4885GABRD 1211/4885
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK PDK2 305/4885AGBL2 2260/4885GABRD 1906/4885

“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.