SCHEMBL3907209

SCHEMBL3907209

Cc1ccc(N[C@@H]2CCNC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.45
HRH3 Q9Y5N1 3/20 0.45
HRH2 P25021 1/20 0.45
MAP4K1 Q92918 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
IRAK4 Q9NWZ3 2/20 0.43
CCR6 P51684 1/20 0.43
BRD4 O60885 2/20 0.42
ATAD2 Q6PL18 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SYK P43405 3/20 0.42
KCNH2 Q12809 2/20 0.42
MAPK3 P27361 1/20 0.42
MAPK1 P28482 1/20 0.42
AURKB Q96GD4 1/20 0.42
CYP11B1 P15538 1/20 0.41

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
SCHEMBL3907216 1.00 HRH4 (0.45) HRH4HRH3HRH2MAP4K1POLB
SCHEMBL20135587 1.00 HRH4 (0.45) HRH4HRH3HRH2MAP4K1POLB
Hydrochloric Acid SCHEMBL28549650 0.98 ADRA2A (0.44) HRH4HRH3HRH2MAP4K1POLB
Hydrochloric Acid SCHEMBL28549653 0.98 ADRA2A (0.44) HRH4HRH3HRH2MAP4K1POLB
SCHEMBL1460413 0.90 HRH3 (0.49) HRH3POLBMAPTRAB9AIRAK4
Bromide SCHEMBL1846722 0.89 HRH3 (0.48) HRH4HRH3POLBMAPTRAB9A
Trifluoroacetic Acid SCHEMBL28545444 0.88 HRH4 (0.60) HRH4HRH3HRH2POLBMAPT
Trifluoroacetic Acid SCHEMBL28545442 0.88 HRH4 (0.60) HRH4HRH3HRH2POLBMAPT
SCHEMBL19633741 0.87 RAB9A (0.49) HRH3POLBMAPTRAB9ACCR6
SCHEMBL827867 0.81 HCAR3 (0.56) POLBMAPTRAB9ACCR6ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358958-B2 2022-06-14 US disclosed
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2021-05-06 US disclosed
US-10894788-B2 Inhibitors of cyclin-dependent kinases KINNATE BIOPHARMA INC. (US) 2021-01-19 US disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
EP-2018381-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2007121918-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 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 (5 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-11358958-B2 CDK2, CDK1, CDK6 HRH4 4083/4885HRH3 3213/4885HRH2 3930/4885
US-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 HRH4 90/4885HRH3 186/4885HRH2 118/4885
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK2, CCNK, CDK1 HRH4 4367/4885HRH3 3293/4885HRH2 4207/4885
US-10894788-B2 Inhibitors of cyclin-dependent kinases CDK2, CCNK, CDK1 HRH4 4367/4885HRH3 3293/4885HRH2 4207/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 HRH4 448/4885HRH3 778/4885HRH2 789/4885

“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.