SCHEMBL18083765

SCHEMBL18083765

O=C(Nc1ccc(CN2CCNCC2)nn1)c1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 1/20 0.53
▸ TP53 P04637 1/20 0.47
▸ ACKR3 P25106 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PTGES O14684 1/20 0.40
▸ GLS O94925 1/20 0.39
▸ F10 P00742 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ KCNK3 O14649 1/20 0.38
▸ KCNK9 Q9NPC2 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL18087497 0.84 CHRM3 (0.52) CHRM3TP53ACKR3LMNAGAA
SCHEMBL18083726 0.82 GLS (0.45) CHRM3TP53ACKR3PTGESGLS
SCHEMBL18083787 0.82 CHRM3 (0.52) CHRM3TP53ACKR3MCHR1PTGES
SCHEMBL18083727 0.80 LMNA (0.50) TP53LMNAGAAPTGESADORA3
SCHEMBL18083724 0.78 CHRM3 (0.62) CHRM3TP53ACKR3PTGS1
SCHEMBL12662464 0.74 PARP1 (0.53) CHRM3TP53PTGESAURKA
SCHEMBL17554062 0.72 BCL3 (0.58) CHRM3GAARXFP1
SCHEMBL18083762 0.69 RXFP1 (0.45) CHRM3TP53ACKR3PTGESRXFP1
SCHEMBL18083711 0.69 ABL1 (0.49) TP53LMNAGAAPTGESPTGS1
SCHEMBL24694849 0.68 CHRM3 (0.44) CHRM3ACKR3MCHR1F10

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
EP-3271348-B1 NEW FYN KINASE INHIBITORS Rottapharm Biotech Srl (IT) 2019-01-30 — — EP disclosed
US-20180111919-A1 NEW FYN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2018-04-26 — — US disclosed
EP-3070084-A1 NEW FYN KINASE INHIBITORS Rottapharm Biotech S.r.l. (IT) 2016-09-21 — — EP 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-20180111919-A1 NEW FYN KINASE INHIBITORS FYN, LCK, LYN CHRM3 2569/4885TP53 2939/4885ACKR3 533/4885

“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.

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