SCHEMBL5659872

SCHEMBL5659872

Cc1ccccc1-n1c[c]cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.40
FLT3 P36888 1/20 0.40
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 4/20 0.38
MGLL Q99685 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
MAPK14 Q16539 1/20 0.36
ADORA2A P29274 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
NOTUM Q6P988 1/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL2752461 0.85 ADRB1 (0.43) ADRB1ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL2750763 0.78 DPP4 (0.33) ALDH1A1TSHRMEN1KMT2AACHE
SCHEMBL2752517 0.77 NPSR1 (0.41) ALDH1A1TDP1MAPTLMNA
SCHEMBL1492645 0.77 HSD17B10 (0.42) ALDH1A1HPGDTSHRTDP1MEN1
SCHEMBL2902914 0.76 NOTUM (0.41) ALDH1A1MGLLHPGDTDP1ADORA3
SCHEMBL2897703 0.76 BCHE (0.42) ADRB1ALDH1A1MGLLTSHRTDP1
SCHEMBL19212320 0.73 KDM4E (0.42) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL2895362 0.72
SCHEMBL2897047 0.72 ALDH1A1 (0.44) ALDH1A1TDP1MEN1MAPTKMT2A
SCHEMBL2901118 0.71 ESRRA (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
US-10239882-B2 Substituted 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine compounds as PDE2 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2019-03-26 US claimed
US-20180282338-A1 SUBSTITUTED 5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE LLC 2018-10-04 US claimed
EP-3215508-A1 SUBSTITUTED 5-METHYL-[1, 2, 4]TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS Dart NeuroScience (Cayman) Ltd. (KY) 2017-09-13 EP claimed
WO-2016073424-A1 SUBSTITUTED 5-METHYL-[1, 2, 4] TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE, LLC (US) 2016-05-12 WO claimed
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US disclosed
US-10239882-B2 Substituted 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine compounds as PDE2 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2019-03-26 US disclosed
US-20180282338-A1 SUBSTITUTED 5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE LLC 2018-10-04 US disclosed
EP-3215508-A1 SUBSTITUTED 5-METHYL-[1, 2, 4]TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS Dart NeuroScience (Cayman) Ltd. (KY) 2017-09-13 EP disclosed
WO-2016073424-A1 SUBSTITUTED 5-METHYL-[1, 2, 4] TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE, LLC (US) 2016-05-12 WO disclosed
US-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 US disclosed
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 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-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 ADRB1 431/4885FLT3 3785/4885GSK3B 369/4885
US-10239882-B2 Substituted 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine compounds as PDE2 inhibitors PDE12, PDE2A, PDE3A ADRB1 78/4885FLT3 1166/4885GSK3B 510/4885
US-20180282338-A1 SUBSTITUTED 5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE3A ADRB1 78/4885FLT3 1166/4885GSK3B 510/4885
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 ADRB1 10/4885FLT3 1191/4885GSK3B 1726/4885

“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.