Sugi Predict

Sugi Predict / Compounds / SCHEMBL168536

SCHEMBL168536

SCHEMBL168536

Nc1cc(-c2cccc(F)c2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.54
▸ ALOX15 P16050 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ NFKB1 P19838 2/20 0.54
▸ NFKB2 Q00653 2/20 0.54
▸ RELA Q04206 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ IDO1 P14902 2/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50

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
SCHEMBL28025294 0.80 POLB (0.48) MAPTLMNATP53CASP1RAB9A
SCHEMBL244618 0.79 ALPL (0.54) MAPTALOX15TP53MAPK1MEN1
SCHEMBL168659 0.79 POLB (0.61) ALOX15LMNATP53RAB9APIM1
SCHEMBL27604947 0.79 MAPT (0.54) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL14726245 0.79 IDO1 (0.53) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL461187 0.79 IDO1 (0.53) MAPTLMNATP53IDO1MEN1
SCHEMBL1861037 0.79 IDO1 (0.53) MAPTALOX15SMN1; SMN2LMNATP53
SCHEMBL1914851 0.78 IDO1 (0.56) MAPK1IDO1MEN1KMT2APIM1
SCHEMBL8888496 0.77 RAB9A (0.70) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL15656631 0.76 NOTUM (0.44) MAPTSMN1; SMN2LMNAIDO1NPC1

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122010947-A Antagonists of adenosine A2a receptors 阿道尔克斯治疗有限公司 2026-05-12 — — CN disclosed
US-12617796-B2 Antagonists of the adenosine A2a receptor JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 — — US disclosed
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
CN-115996929-A Antagonists of adenosine A2a receptors 阿道尔克斯治疗有限公司 2023-04-21 — — CN disclosed
EP-4146654-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR Adorx therapeutics Limited (GB) 2023-03-15 — — EP disclosed
WO-2021224636-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR AdoRx Therapeutics Limited (GB) 2021-11-11 — — WO disclosed
WO-2021224636-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR AdoRx Therapeutics Limited (GB) 2021-11-11 — — WO disclosed
EP-2911671-B1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE INC (US) 2018-06-27 — — EP disclosed
WO-2012028243-A1 PYRAZOLOPYRIDINONE DERIVATIVES AS LPA RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2012-03-08 — — WO disclosed
WO-2012028243-A1 PYRAZOLOPYRIDINONE DERIVATIVES AS LPA RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2012-03-08 — — WO disclosed
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 — — EP disclosed
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 — — WO disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 — — US disclosed
CN-101679287-A nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2010-03-24 — — CN disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 — — US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 — — WO disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 — — EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 — — 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 (4 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-12617796-B2 Antagonists of the adenosine A2a receptor ADORA2A, ADORA2B, ADORA3 MAPT 4500/4885ALOX15 1547/4885SMN1; SMN2 3439/4885
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 MAPT 933/4885ALOX15 1616/4885SMN1; SMN2 2002/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 MAPT 501/4885ALOX15 2815/4885SMN1; SMN2 1693/4885
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR ADORA2A, ADORA1, ADORA3 MAPT 4722/4885ALOX15 1650/4885SMN1; SMN2 3303/4885

“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.