SCHEMBL298800

SCHEMBL298800

CS(=O)(=O)Nc1cccc(-c2cnc3[nH]cc(C(=O)c4cccc(N)c4)c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 7/20 0.54
▸ AAK1 Q2M2I8 1/20 0.50
▸ NTRK1 P04629 2/20 0.49
▸ PIK3CA P42336 2/20 0.49
▸ TYRO3 Q06418 1/20 0.48
▸ KIT P10721 1/20 0.47
▸ BTK Q06187 2/20 0.47
▸ CAMKK2 Q96RR4 1/20 0.46
▸ ITK Q08881 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ DYRK2 Q92630 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46

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
SCHEMBL3706659 0.91 INSR (0.55) TNIKAAK1NTRK1PIK3CABTK
SCHEMBL878738 0.90 TNIK (0.55) TNIKAAK1PIK3CABTKCYP2C9
SCHEMBL299272 0.87 CAMKK2 (0.61) AAK1NTRK1PIK3CAKITCAMKK2
SCHEMBL878650 0.87 TNIK (0.54) TNIKAAK1NTRK1PIK3CABTK
SCHEMBL8388658 0.86 TNIK (0.52) TNIKAAK1PIK3CABTKITK
SCHEMBL298060 0.86 CYP2C9 (0.51) TNIKNTRK1PIK3CATYRO3BTK
SCHEMBL413564 0.86 TNIK (0.52) TNIKAAK1NTRK1PIK3CAKIT
SCHEMBL7872452 0.86 AAK1 (0.51) AAK1NTRK1PIK3CAKITBTK
SCHEMBL857599 0.86 BRAF (0.54) TNIKAAK1PIK3CABTKCAMKK2
SCHEMBL414867 0.86 TNIK (0.53) TNIKAAK1PIK3CABTKITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 — — US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 — — US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 — — EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 — — WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 — — WO 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF TNIK 1393/4885AAK1 247/4885NTRK1 1554/4885

“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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