Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29964790

CC(=O)N1CCN(c2ccc(-c3cc(-c4cc5c(cc4F)C(=O)NCC5)c(N)nc3F)cn2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.38
TDO2 P48775 1/20 0.36
MET P08581 1/20 0.36
ATM Q13315 1/20 0.35
WNT3A P56704 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND3 P30281 1/20 0.35
CDK6 Q00534 1/20 0.35
RET P07949 2/20 0.34
ADK P55263 1/20 0.34
MAP4K4 O95819 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
METAP2 P50579 1/20 0.34
FGFR3 P22607 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
SCHEMBL29964568 0.85 CCNT1 (0.43) MGLLTDO2CDK4CCND1CCND3
SCHEMBL29964427 0.85 ATM (0.41) MGLLTDO2METATMCDK4
SCHEMBL29964408 0.82 CDK4 (0.39) WNT3ACDK4CCND1CCND3CDK6
Trifluoroacetic Acid SCHEMBL29964747 0.81 CCNT1 (0.43) CDK4CCND1CCND3CDK6PARP1
SCHEMBL29964688 0.78 CHEK2 (0.42) PARP1PARP2
Trifluoroacetic Acid SCHEMBL31079404 0.77 PARP10 (0.35) PARP1
SCHEMBL29964443 0.77 RET (0.39) RETMAP4K4
Trifluoroacetic Acid SCHEMBL29965113 0.76 MAPK1 (0.38) PARP1
SCHEMBL29964469 0.76 PRKAB2 (0.39) CDK4CCND1CCND3CDK6PARP1
SCHEMBL31079313 0.76 PARP1 (0.42) CDK4CCND1CCND3CDK6PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-10-17 US disclosed
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 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 (1 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-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) CMPK1, WNK1, AAK1 MGLL 4083/4885TDO2 1334/4885MET 852/4885

“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.