SCHEMBL19701836

SCHEMBL19701836

COc1ccc(CN(Cc2ccc(CO)cc2)c2ncnn3c(Br)cc(C(F)(F)F)c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 9/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ PDE2A O00408 2/20 0.37
▸ RIPK1 Q13546 2/20 0.36
▸ MBOAT4 Q96T53 3/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 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
SCHEMBL19280541 0.95 PDE2A (0.39) PDE1BPDE2ARIPK1MBOAT4MEN1
SCHEMBL21199274 0.81 PDE2A (0.41) PDE1BPDE2AMEN1ALDH1A1KMT2A
SCHEMBL22055764 0.80 PDE2A (0.43) PDE1BCSF1RPDE2AMEN1ALDH1A1
SCHEMBL19280466 0.79 PDE2A (0.41) PDE1BPDE2AMEN1ALDH1A1GAA
SCHEMBL19701834 0.79 CSF1R (0.41) PDE1BCSF1RPDE2AMEN1ALDH1A1
SCHEMBL21199627 0.77 PDE2A (0.44) PDE1BPDE2AMBOAT4MEN1ALDH1A1
SCHEMBL21199702 0.75 LMNA (0.38) CSF1RPDE2AMBOAT4MEN1ALDH1A1
SCHEMBL14654970 0.75 GAA (0.40) PDE1BPDE2AALDH1A1GAAMAPT
SCHEMBL21199277 0.75 KDM4E (0.39) PDE1BPDE2AMEN1ALDH1A1GAA
SCHEMBL14652251 0.73 GAA (0.38) PDE1BPDE2AALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS 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 (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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 PDE1B 1920/4885CSF1R 1422/4885PDE2A 1221/4885

“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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