SCHEMBL4053205

SCHEMBL4053205

C1=CCN(c2c[nH]c3ncccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.45
DRD4 P21917 5/20 0.45
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
GPR84 Q9NQS5 1/20 0.44
CCNT1 O60563 4/20 0.43
CCNA2 P20248 4/20 0.43
CDK2 P24941 4/20 0.43
CDK9 P50750 4/20 0.43
HTR2A P28223 5/20 0.43
HTR1A P08908 4/20 0.43
HTR7 P34969 4/20 0.43
KMT2A Q03164 2/20 0.42
LRRK2 Q5S007 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
NFKB1 P19838 2/20 0.41
HIF1A Q16665 2/20 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
SCHEMBL4063061 0.80 CCNT1 (0.58) AXLDRD4DRD2DRD3GPR84
SCHEMBL20111997 0.79 HTR2A (0.51) AXLDRD4DRD2DRD3GPR84
SCHEMBL9376538 0.77 PSMD14 (0.41) DRD4DRD2DRD3HTR2AHTR1A
SCHEMBL9377656 0.75 HTR6 (0.39) GPR84HTR2ACYP3A4HTR6MAPK1
SCHEMBL9696184 0.75 HTR2A (0.43) GPR84CDK2HTR2ACYP2D6ALDH1A1
SCHEMBL5240727 0.75 BCHE (0.42) DRD4DRD2DRD3HTR2AHTR1A
SCHEMBL21714505 0.73 DRD4 (0.46) AXLDRD4DRD2DRD3GPR84
SCHEMBL16720229 0.71 AXL (0.53) AXLDRD4DRD2DRD3GPR84
SCHEMBL3060875 0.70 KMT2A (0.47) AXLDRD4DRD2DRD3GPR84
SCHEMBL31317715 0.69 CCNT1 (0.47) DRD4DRD2DRD3CCNT1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461683-B 7-azaindole heterocyclic compound and preparation method and application thereof 青岛科技大学 2022-11-22 CN claimed
CN-113461683-A 7-azaindole heterocyclic compound and preparation method and application thereof 青岛科技大学 2021-10-01 CN claimed
CN-113461683-B 7-azaindole heterocyclic compound and preparation method and application thereof 青岛科技大学 2022-11-22 CN disclosed
CN-113461683-A 7-azaindole heterocyclic compound and preparation method and application thereof 青岛科技大学 2021-10-01 CN disclosed
CN-102170883-A Compounds useful as inhibitors of protein kinases ABBOTT LAB 2011-08-31 CN disclosed
US-7622480-B2 Selective H1 histamine receptor antagonists; bronchial asthma, allergic rhinitis, conjunctivitis, dermatitis, urticaria and other allergic diseases; e.g. 3-(4-[1-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-ylmethyl)benzoic acid LABORATORIOS ALMIRALL S.A. (ES) 2009-11-24 US disclosed
US-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents LABORATORIOS ALMIRALL, S.A. (ES) 2005-08-11 US disclosed
EP-0379314-B1 3-(1,2,5,6-Tetrahydropyridyl)-pyrrolopyridines PFIZER (US) 1994-03-23 EP disclosed
US-5169947-A 3-(1,2,5,6-tetrahydropyridyl)-pyrrolopyridines PFIZER INC. (US) 1992-12-08 US disclosed
US-5051412-A Pharmaceutically active 3-(1,2,5,6-tetrahydropyridyl)-pyrrolopyridines PFIZER INC. (US) 1991-09-24 US disclosed
WO-1990007926-A1 3-(1,2,5,6-TETRAHYDROPYRIDYL)-PYRROLOPYRIDINES PFIZER INC. (US) 1990-07-26 WO disclosed
EP-0379314-A1 3-(1,2,5,6-Tetrahydropyridyl)-pyrrolopyridines PFIZER INC. (US) 1990-07-25 EP 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-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents HRH2, HRH1, HRH4 AXL 4468/4885DRD4 218/4885DRD2 58/4885

“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.