SCHEMBL21543486

SCHEMBL21543486

Nc1c(C(F)(F)F)ccnc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
NOS3 P29474 2/20 0.39
NOS2 P35228 2/20 0.39
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
KMO O15229 1/20 0.32
NOTUM Q6P988 2/20 0.32
LOX P28300 1/20 0.32
RPS6KA5 O75582 1/20 0.31
BACE1 P56817 1/20 0.31
KDR P35968 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SLC40A1 Q9NP59 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
SCHEMBL29460079 1.00 PIK3CD (0.45) PIK3CDNOS3NOS2GLAPOLB
SCHEMBL22715211 0.82 PIK3CD (0.35) PIK3CDNOS3NOS2GLAPOLB
SCHEMBL28316927 0.81 NR4A2 (0.33) PIK3CDNOS3NOS2TSHRHTT
SCHEMBL29435659 0.78 NOS3 (0.46) PIK3CDNOS3NOS2GLAPOLB
SCHEMBL364870 0.78 P2RX7 (0.36) PIK3CDNOS3NOS2POLBKMO
SCHEMBL157195 0.78 NOS3 (0.46) PIK3CDNOS3NOS2GLAPOLB
SCHEMBL1961605 0.77 PIK3CD (0.35) PIK3CDNOS3NOS2POLBTSHR
SCHEMBL29460067 0.77 PIK3CD (0.35) PIK3CDNOS3NOS2POLBTSHR
SCHEMBL10387512 0.77 PIK3CD (0.35) PIK3CDNOS3NOS2POLBTSHR
SCHEMBL21598657 0.75 KMO (0.35) PIK3CDNOS3NOS2KMONOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105753778-A Synthesis method for 4-(trifluoromethyl)-2-(3-(trifluoromethyl)phenoxy)pyridine-3-amine 常州大学 2016-07-13 CN claimed
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-12-18 US disclosed
US-12440491-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2025-10-14 US disclosed
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
EP-3788038-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME Amgen Inc. (US) 2021-03-10 EP disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
CN-105753778-A Synthesis method for 4-(trifluoromethyl)-2-(3-(trifluoromethyl)phenoxy)pyridine-3-amine 常州大学 2016-07-13 CN 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 (7 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-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS PIK3CD 191/4885NOS3 4868/4885NOS2 4845/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS PIK3CD 191/4885NOS3 4868/4885NOS2 4845/4885
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS PIK3CD 191/4885NOS3 4868/4885NOS2 4845/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS PIK3CD 191/4885NOS3 4868/4885NOS2 4845/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS PIK3CD 191/4885NOS3 4868/4885NOS2 4845/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS PIK3CD 191/4885NOS3 4868/4885NOS2 4845/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS PIK3CD 191/4885NOS3 4868/4885NOS2 4845/4885

“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.