SCHEMBL9928274

SCHEMBL9928274

C=Cc1cccc(Nc2ncnc3[nH]cc(CC)c23)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.52
TNNI3K Q59H18 14/20 0.52
ERBB2 P04626 2/20 0.42
JAK3 P52333 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
ABL2 P42684 1/20 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
SCHEMBL9928277 0.89 BRAF (0.47) BRAFTNNI3KERBB2IRAK4AAK1
SCHEMBL9898386 0.84 JAK3 (0.58) JAK3
Hydrochloric Acid SCHEMBL9898383 0.83 JAK3 (0.57) JAK3
SCHEMBL9928275 0.82 EGFR (0.58) BRAFTNNI3KABL1EGFRABL2
SCHEMBL9928281 0.81 AAK1 (0.55) BRAFTNNI3KERBB2JAK3AAK1
SCHEMBL9904064 0.80 AAK1 (0.65) BRAFTNNI3KERBB2AAK1EGFR
SCHEMBL13471636 0.78 BRAF (0.41) BRAFTNNI3KAAK1ABL1EGFR
SCHEMBL9897618 0.75 AAK1 (0.47) JAK3AAK1EGFR
SCHEMBL9928273 0.74 EGFR (0.52) BRAFTNNI3KERBB2EGFR
SCHEMBL9928272 0.73 BRAF (0.45) BRAFTNNI3KJAK3IRAK4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 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-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE ERBB2, EGFR, FGFR1 BRAF 131/4885TNNI3K 372/4885ERBB2 1/4885

“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.