SCHEMBL22598655

SCHEMBL22598655

CCCC[C@H](C)c1nc2c(C)c(C)ccc2n1C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.33
▸ TLR8 Q9NR97 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 2/20 0.31
▸ CASR P41180 1/20 0.31
▸ BRD4 O60885 2/20 0.30
▸ CREBBP Q92793 2/20 0.30
▸ LMNA P02545 2/20 0.30
▸ USP2 O75604 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL24361843 0.66 KMT2A (0.30) PDE10AKMT2A
SCHEMBL14957158 0.65 PDE3B (0.34) SMN1; SMN2MAPTLMNAMEN1ALDH1A1
SCHEMBL5329219 0.64 GPR84 (0.38) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5334619 0.64 GPR84 (0.38) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5329525 0.64 GPR84 (0.38) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL14147979 0.62 GPR84 (0.38) LMNA
SCHEMBL12724876 0.62 PIM1 (0.33) SMN1; SMN2MAPTLMNAMEN1ALDH1A1
SCHEMBL4368060 0.61 TLR8 (0.58) TLR8SMN1; SMN2CASRLMNAUSP2
SCHEMBL12359188 0.61 HTT (0.39) TLR8SMN1; SMN2MAPTLMNAUSP2
SCHEMBL19226587 0.61 NOS2 (0.35) TLR8MEN1KMT2A

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-11208386-B2 Inhibitors of protein arginine deiminases (PADs) and methods of preparation and use thereof UNIVERSITY OF MASSACHUSETTS (US) 2021-12-28 — — US disclosed
US-20200339518-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES (PADS) AND METHODS OF PREPARATION AND USE THEREOF UNIV MASSACHUSETTS (US) 2020-10-29 — — 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-11208386-B2 Inhibitors of protein arginine deiminases (PADs) and methods of preparation and use thereof PADI2, PADI1, PADI4 PDE10A 366/4885TLR8 4644/4885SMN1; SMN2 4551/4885
US-20200339518-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES (PADS) AND METHODS OF PREPARATION AND USE THEREOF PADI2, PADI1, PADI4 PDE10A 366/4885TLR8 4644/4885SMN1; SMN2 4551/4885

“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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