SCHEMBL4790943

SCHEMBL4790943

O=C1NC(N2CCN(c3ccc(O)cc3)CC2)=N/C1=C\c1c[nH]c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 3/20 0.46
▸ CCNT1 O60563 2/20 0.46
▸ CDK9 P50750 2/20 0.46
▸ CHEK1 O14757 1/20 0.44
▸ HTR2A P28223 6/20 0.41
▸ HTR1A P08908 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTR7 P34969 5/20 0.41
▸ HTR6 P50406 3/20 0.41
▸ DRD4 P21917 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ PIM1 P11309 2/20 0.40

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
SCHEMBL4790947 1.00 HASPIN (0.46) HASPINCCNT1CDK9CHEK1HTR2A
Hydrochloric Acid SCHEMBL4762913 0.90 DRD4 (0.48) HASPINCCNT1CDK9CHEK1HTR2A
Hydrochloric Acid SCHEMBL4762915 0.90 DRD4 (0.48) HASPINCCNT1CDK9CHEK1HTR2A
Hydrochloric Acid SCHEMBL5094550 0.90 HTR2A (0.51) HASPINCCNT1CDK9CHEK1HTR2A
Hydrochloric Acid SCHEMBL5094546 0.90 HTR2A (0.51) HASPINCCNT1CDK9CHEK1HTR2A
SCHEMBL5101252 0.87 CHEK1 (0.49) HASPINCCNT1CDK9CHEK1KMT2A
SCHEMBL5101244 0.87 CHEK1 (0.49) HASPINCCNT1CDK9CHEK1KMT2A
Hydrochloric Acid SCHEMBL4791431 0.86 CHEK1 (0.48) HASPINCCNT1CDK9CHEK1KMT2A
Hydrochloric Acid SCHEMBL4791429 0.86 CHEK1 (0.48) HASPINCCNT1CDK9CHEK1KMT2A
Hydrochloric Acid SCHEMBL5094594 0.85 DRD2 (0.41) HASPINCCNT1CDK9CHEK1HTR2A

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 6 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
EP-1960399-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Pfizer Italia S.r.l. (IT) 2008-08-27 — — EP disclosed
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
WO-2007054508-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2007-05-18 — — WO 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 HASPIN 1268/4885CCNT1 498/4885CDK9 12/4885

“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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