SCHEMBL19878554

SCHEMBL19878554

Nc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
PKM P14618 2/20 0.36
HPGD P15428 1/20 0.36
IDO1 P14902 2/20 0.34
MPL P40238 1/20 0.34
CYP1A1 P04798 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
PTPN5 P54829 2/20 0.33
GFER P55789 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL24710395 0.90 ALDH1A1 (0.33) ALDH1A1KDM4EHSD17B10PKMHPGD
SCHEMBL31345743 0.83 ESR2 (0.41) ALDH1A1KDM4EHSD17B10PKMHPGD
SCHEMBL28567219 0.83 ESR2 (0.41) ALDH1A1KDM4EHSD17B10PKMHPGD
SCHEMBL19878460 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10PKMHPGD
SCHEMBL5366083 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10PKMHPGD
SCHEMBL309479 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10PKMHPGD
SCHEMBL5958675 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10PKMHPGD
Bromide SCHEMBL3161327 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10PKMHPGD
Hydrochloric Acid SCHEMBL4381686 0.80 IDO1 (0.52) ALDH1A1KDM4EHSD17B10PKMHPGD
SCHEMBL24711096 0.79 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10PKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3500257-B1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2025-07-02 EP disclosed
US-20240287081-A1 PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2024-08-29 US disclosed
WO-2022261352-A1 PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-12-15 WO disclosed
WO-2022261352-A1 PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-12-15 WO disclosed
US-11066370-B2 Kinase inhibitor compounds, compositions, and methods of treating cancer ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-07-20 US disclosed
US-11066370-B2 Kinase inhibitor compounds, compositions, and methods of treating cancer ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-07-20 US disclosed
US-20200325103-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2020-10-15 US disclosed
US-20200325103-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2020-10-15 US disclosed
US-10519113-B2 Kinase inhibitor compounds, compositions, and methods of treating cancer ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-12-31 US disclosed
US-10519113-B2 Kinase inhibitor compounds, compositions, and methods of treating cancer ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-12-31 US disclosed
US-20190202789-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICHAN SCHOOL OF MEDICINE AT MOUNT SINAL (US) 2019-07-04 US disclosed
US-20190202789-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICHAN SCHOOL OF MEDICINE AT MOUNT SINAL (US) 2019-07-04 US disclosed
EP-3500257-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER Icahn School of Medicine at Mount Sinai (US) 2019-06-26 EP disclosed
WO-2018035346-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICHAN SCHOOL OF MEDICINE AT MOUNT SINAL (US) 2018-02-22 WO disclosed
WO-2018035346-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICHAN SCHOOL OF MEDICINE AT MOUNT SINAL (US) 2018-02-22 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-20200325103-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER MAP3K1, KSR1, MAP3K11 ALDH1A1 3660/4885KDM4E 573/4885HSD17B10 3222/4885
US-10519113-B2 Kinase inhibitor compounds, compositions, and methods of treating cancer MAP3K1, KSR1, MAP3K11 ALDH1A1 3660/4885KDM4E 573/4885HSD17B10 3222/4885
US-11066370-B2 Kinase inhibitor compounds, compositions, and methods of treating cancer MAP3K1, KSR1, MAP3K11 ALDH1A1 3660/4885KDM4E 573/4885HSD17B10 3222/4885
US-20190202789-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER MAP3K1, KSR1, MAP3K11 ALDH1A1 3660/4885KDM4E 573/4885HSD17B10 3222/4885
US-20240287081-A1 PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF PPARD, PFAS, FOLR2 ALDH1A1 772/4885KDM4E 3743/4885HSD17B10 1755/4885

“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.