SCHEMBL20481613

SCHEMBL20481613

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2ccc(Cl)cn2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 5/20 0.35
▸ GRM4 Q14833 3/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ PI4KB Q9UBF8 2/20 0.35
▸ ATF1 P18846 2/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NR2F2 P24468 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ NCS1 P62166 1/20 0.34
▸ RXFP1 Q9HBX9 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
SCHEMBL18113775 0.87 TP53 (0.40) GRM4KMT2AMEN1ALDH1A1LMNA
SCHEMBL20481494 0.84 ADORA2A (0.46) GRM4PI4KBKMT2AMEN1NCS1
SCHEMBL18113887 0.84 PI4KB (0.36) PI4KBSMN1; SMN2HTTNCS1
SCHEMBL18113881 0.82 PI4KB (0.36) GRM4PI4KBSMN1; SMN2HTTNCS1
SCHEMBL18113893 0.82 NPC1 (0.38) PI4KBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL18113798 0.82 KDM4E (0.34) PI4KBKMT2AMEN1ALDH1A1LMNA
SCHEMBL18113762 0.82 PI4KB (0.39) GRM4PI4KBKMT2AMEN1KDM4E
SCHEMBL18113854 0.82 PI4KB (0.38) GRM4PI4KBKMT2AMEN1ALDH1A1
SCHEMBL20481515 0.81 ATF1 (0.38) GRM4ATF1NFKB1KMT2AMEN1
SCHEMBL18113889 0.80 ABL1 (0.37) PI4KBATF1NFKB1SMN1; SMN2HTT

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-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — US claimed
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — 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-20180243298-A1 TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 CFTR 625/4885GRM4 449/4885HIF1A 2099/4885

“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.

Send feedback