SCHEMBL13941641

SCHEMBL13941641

CC(=N)N/N=C(\C)c1ccc(NC(=O)c2cc3ccc(N)cc3[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.50
▸ PIK3CA P42336 4/20 0.50
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NHERF1 O14745 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PRMT1 Q99873 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ GPR39 O43194 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ APEX1 P27695 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
SCHEMBL13941475 0.93 EGFR (0.49) EGFRPIK3CAMAPTALDH1A1MEN1
SCHEMBL13941655 0.88 EGFR (0.51) EGFRPIK3CAMAPTALDH1A1MEN1
SCHEMBL13941656 0.88 NHERF1 (0.54) EGFRPIK3CAMAPTMEN1KMT2A
SCHEMBL13941640 0.86 EGFR (0.48) EGFRPIK3CAMAPTALDH1A1MEN1
SCHEMBL13941652 0.86 EGFR (0.48) EGFRPIK3CAMAPTALDH1A1MEN1
SCHEMBL13941627 0.86 NPC1 (0.55) EGFRPIK3CAMAPTALDH1A1MEN1
SCHEMBL13941651 0.85 FAAH (0.48) EGFRPIK3CAMAPTALDH1A1MEN1
SCHEMBL13941389 0.84 EGFR (0.49) EGFRPIK3CAMAPTALDH1A1MEN1
SCHEMBL13941689 0.83 POLB (0.46) EGFRPIK3CAMAPTALDH1A1MEN1
SCHEMBL13941628 0.82 POLB (0.54) EGFRPIK3CAMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765802-B2 Kinase inhibitors, compositions thereof, and methods of use therewith PROVID PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. 2009-01-15 — — 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-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH CHEK2, ATM, CHEK1 EGFR 1827/4885PIK3CA 821/4885MAPT 2088/4885

“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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