SCHEMBL19703560

SCHEMBL19703560

CCCCCCCC(CCCCCC)N1[C@H](C)CN(C(C)=O)C[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 7/20 0.37
▸ FDPS P14324 4/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ LCK P06239 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ ZDHHC20 Q5W0Z9 1/20 0.36
▸ ZDHHC2 Q9UIJ5 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ CHRNB3 Q05901 1/20 0.34
▸ CHRNA6 Q15825 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ ACE2 Q9BYF1 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
SCHEMBL19710626 1.00 GPR84 (0.37) GPR84FDPSFFAR1MAPTLCK
SCHEMBL19710835 0.78 CA2 (0.34) GPR84FDPSFFAR1MAPTLCK
SCHEMBL19711201 0.78 EBP (0.39) FDPS
SCHEMBL20746967 0.77 EBP (0.37) FDPS
SCHEMBL24398569 0.76 GPR84 (0.41) GPR84FFAR1MAPTLCKPPARD
SCHEMBL19703415 0.75 GPR84 (0.38) GPR84FDPSFFAR1MAPTLCK
SCHEMBL19703427 0.74 GPR84 (0.37) GPR84FDPSFFAR1MAPTLCK
SCHEMBL19710948 0.74 EBP (0.34) GPR84FDPSFFAR1CA2
SCHEMBL21846657 0.74 EBP (0.35) FDPS
SCHEMBL24040163 0.73 KDM4E (0.43) GPR84FDPSFFAR1MAPTLCK

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-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 — — US disclosed
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — 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 (2 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-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors PIK3R3, PIK3R5, PIK3R1 GPR84 3822/4885FDPS 2510/4885FFAR1 3137/4885
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS PIK3R3, PIK3R5, PIK3R1 GPR84 3822/4885FDPS 2510/4885FFAR1 3137/4885

“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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