SCHEMBL22246762

SCHEMBL22246762

O=C(Nc1ccnn1-c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.63
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NTRK1 P04629 3/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
CYP2C9 P11712 1/20 0.47
GAA P10253 1/20 0.47
PTGS1 P23219 1/20 0.47
MAPT P10636 2/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL15015974 0.84 GRM5 (0.62) GRM5POLBHPGDNPC1RAB9A
SCHEMBL14938017 0.78 OXTR (0.57) GRM5KMT2APTGS1
SCHEMBL5924104 0.78 GRM5 (1.00) GRM5LMNA
SCHEMBL3433504 0.77 CYP2C9 (0.55) POLBNTRK1KMT2ALMNACYP2C9
SCHEMBL3875037 0.75 KDM4E (0.65) NPC1RAB9AKMT2APTGS1
SCHEMBL15484596 0.74 NR3C2 (0.56) POLBNTRK1KMT2ALMNACYP2C9
SCHEMBL22246675 0.73 EGFR (0.64) GRM5POLBNPC1RAB9AADORA3
SCHEMBL4247052 0.72 NPC1 (0.86) NPC1RAB9AKMT2ALMNAPTGS1
SCHEMBL19732074 0.72 TSHR (0.59) NTRK1KMT2ACYP2C9ADORA3
SCHEMBL22246858 0.71 LMNA (0.74) GRM5HPGDNPC1RAB9AABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 US disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 WO disclosed
WO-2020150417-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-07-23 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-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 GRM5 3122/4885POLB 953/4885HPGD 3415/4885

“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.