SCHEMBL5101448

SCHEMBL5101448

C=CCN1CCN(C2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.43
▸ HTR2A P28223 7/20 0.43
▸ HTR1A P08908 5/20 0.43
▸ DRD4 P21917 5/20 0.41
▸ DRD2 P14416 3/20 0.41
▸ DRD3 P35462 3/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ CCNT1 O60563 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ HASPIN Q8TF76 2/20 0.40
▸ HTR2C P28335 2/20 0.38
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ PIM1 P11309 2/20 0.38
▸ PIM2 Q9P1W9 2/20 0.38
▸ HTR7 P34969 5/20 0.38
▸ HTR6 P50406 3/20 0.38

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
SCHEMBL5101440 1.00 CHEK1 (0.43) CHEK1HTR2AHTR1ADRD4DRD2
SCHEMBL4723520 0.89 CHEK1 (0.44) CHEK1HTR2AHTR1ADRD4DRD2
SCHEMBL4723524 0.89 CHEK1 (0.44) CHEK1HTR2AHTR1ADRD4DRD2
SCHEMBL5101252 0.86 CHEK1 (0.49) CHEK1DRD4DRD2DRD3KMT2A
SCHEMBL5101244 0.86 CHEK1 (0.49) CHEK1DRD4DRD2DRD3KMT2A
Hydrochloric Acid SCHEMBL4760941 0.86 CHEK1 (0.42) CHEK1HTR2AHTR1ADRD4DRD2
Hydrochloric Acid SCHEMBL5094384 0.86 CHEK1 (0.42) CHEK1HTR2AHTR1ADRD4DRD2
Hydrochloric Acid SCHEMBL5094391 0.86 CHEK1 (0.42) CHEK1HTR2AHTR1ADRD4DRD2
Hydrochloric Acid SCHEMBL4760936 0.86 CHEK1 (0.42) CHEK1HTR2AHTR1ADRD4DRD2
Hydrochloric Acid SCHEMBL5100879 0.85 DRD4 (0.47) CHEK1HTR2AHTR1ADRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371862-B2 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2008-05-13 — — US claimed
US-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2007-05-17 — — US claimed
US-7371862-B2 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2008-05-13 — — US disclosed
US-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2007-05-17 — — US 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-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K6, MAP3K1 CHEK1 251/4885HTR2A 4527/4885HTR1A 4505/4885

“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.

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