SCHEMBL2248952

SCHEMBL2248952

COCCOC(=O)c1cn(C)nc1C(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TP53 P04637 2/20 0.38
GAA P10253 4/20 0.36
KDM4E B2RXH2 6/20 0.36
GLA P06280 4/20 0.36
HPGD P15428 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
ACACB O00763 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 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
SCHEMBL439677 0.94 TSHR (0.38) TSHRTP53GAAKDM4EHPGD
SCHEMBL28363345 0.87 ALDH1A1 (0.36) TSHRGAAKDM4EGLAHPGD
SCHEMBL21126224 0.87 TSHR (0.42) TSHRTP53KDM4EHPGDALDH1A1
SCHEMBL2251889 0.86 TSHR (0.47) TSHRTP53GAAKDM4EGLA
SCHEMBL28359952 0.84 LMNA (0.47) TSHRALDH1A1
SCHEMBL15280688 0.84 CYP11B1 (0.32) TSHRGAAACACB
SCHEMBL19186 0.84 JMJD6 (0.44) TSHRTP53GAAKDM4EGLA
SCHEMBL596089 0.83 GAA (0.40) GAAGLAALDH1A1HSD17B10ACACB
SCHEMBL28359954 0.83 TSHR (0.42) TSHRTP53KDM4EALDH1A1CASP1
SCHEMBL4563231 0.80 TSHR (0.32) TSHRTP53GAAIRAK4

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-7994207-B2 Process for preparing fluoromethyl-substituted heterocyclic compounds BASF SE (DE) 2011-08-09 US disclosed
US-20100022782-A1 Process for Preparing Fluoromethyl-Substituted Heterocyclic Compounds BASF SE (DE) 2010-01-28 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 (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-20100022782-A1 Process for Preparing Fluoromethyl-Substituted Heterocyclic Compounds AFF4, AFF1, F12 TSHR 1557/4885TP53 2320/4885GAA 1921/4885

“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.