SCHEMBL3550190

SCHEMBL3550190

c1ccc2sc(N3CCCCC[N]3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.50
▸ NPC1 O15118 10/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ POLB P06746 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TSHR P16473 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ SORD Q00796 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL11783793 0.79 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL7217567 0.79 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL3559291 0.77 SMN1; SMN2 (0.68) RAB9ANPC1SMN1; SMN2TSHRMEN1
SCHEMBL8526236 0.77 RAB9A (0.73) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL6768074 0.72 RAB9A (0.49) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL2202283 0.71 RAB9A (0.69) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL30582901 0.70 RAB9A (0.61) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL10849021 0.70 RAB9A (0.50) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL3549560 0.70 RAB9A (0.61) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL11873233 0.70 RAB9A (0.50) RAB9ANPC1SMN1; SMN2POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834015-B2 treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, neurodegenerative diseases, retroviral infections, retinal damage, skin senescence and UV skin damage, and as chemosensitizers or radiosensitizers for cancer treatment INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-11-16 — — US disclosed
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-08-20 — — US disclosed
EP-2032140-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-03-11 — — EP disclosed
WO-2008041037-A1 FUSED INDOLES AND INDAZOLES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-04-10 — — WO disclosed
WO-2007138355-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 — — 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-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) PARP1, PARP2, PARP11 RAB9A 2823/4885NPC1 4193/4885SMN1; SMN2 1217/4885

“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.

Send feedback