SCHEMBL4848730

SCHEMBL4848730

CNc1nc(-c2ccc(C(F)(F)F)cc2)nc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.69
CYP1A2 P05177 12/20 0.68
CYP1A1 P04798 2/20 0.68
KDM1A O60341 1/20 0.65
CYP3A4 P08684 9/20 0.64
CYP2D6 P10635 8/20 0.64
CYP2C19 P33261 8/20 0.64
HSD17B10 Q99714 7/20 0.64
CYP2C9 P11712 4/20 0.64
ALOX15 P16050 3/20 0.64
TSHR P16473 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
TP53 P04637 2/20 0.64
KDM4E B2RXH2 2/20 0.64
LMNA P02545 2/20 0.64
MAPT P10636 1/20 0.64
HPGD P15428 1/20 0.64
HBB P68871 1/20 0.64
SYK P43405 1/20 0.64
RECQL P46063 1/20 0.63

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
SCHEMBL4085140 0.82 ABCG2 (0.83) ABCG2KDM1ATP53KDM4ELMNA
SCHEMBL4094753 0.79 MEN1 (0.70) ABCG2CYP1A2KDM1ACYP3A4CYP2D6
SCHEMBL4868136 0.79 MEN1 (0.76) ABCG2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16404336 0.78 SYK (1.00) ABCG2CYP1A2CYP1A1KDM1ACYP3A4
SCHEMBL1084176 0.78 CYP2D6 (0.68) ABCG2CYP1A2KDM1ACYP3A4CYP2D6
SCHEMBL26911304 0.78 CHEK1 (0.59) ABCG2CYP1A2KDM1ACYP3A4CYP2D6
SCHEMBL28147423 0.78 MEN1 (0.65) ABCG2KDM1AMEN1KMT2A
SCHEMBL14529187 0.77 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL14727634 0.76 CYP1A2 (0.61) ABCG2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16038183 0.75 ABCG2 (0.56) ABCG2KDM1ACYP3A4CYP2D6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390907-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-06-24 US disclosed
EP-1670794-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2006-06-21 EP disclosed
US-20050153984-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-07-14 US disclosed
WO-2005033105-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-04-14 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-20050153984-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ABCG2 836/4885CYP1A2 2081/4885CYP1A1 2180/4885

“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.