SCHEMBL298660

SCHEMBL298660

CS(=O)(=O)Nc1cccc(-c2cnc3[nH]cc(C(=O)c4cccc(NS(=O)(=O)c5cccnc5)c4)c3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.57
TNIK Q9UKE5 5/20 0.49
BRD4 O60885 2/20 0.48
NEK1 Q96PY6 1/20 0.48
NTRK1 P04629 1/20 0.47
KIT P10721 1/20 0.47
MAPK10 P53779 1/20 0.46
CYP3A4 P08684 1/20 0.46
AAK1 Q2M2I8 2/20 0.45
MAP2K7 O14733 1/20 0.45
MAP2K4 P45985 1/20 0.45
PLCG1 P19174 1/20 0.45
CAMKK2 Q96RR4 2/20 0.44

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
SCHEMBL298592 0.93 CAMKK2 (0.52) PIK3CATNIKBRD4NEK1NTRK1
SCHEMBL299448 0.91 PIK3CA (0.52) PIK3CABRD4NEK1NTRK1KIT
SCHEMBL297762 0.89 PIK3CA (0.54) PIK3CANTRK1KITMAPK10CYP3A4
SCHEMBL298351 0.86 PIK3CA (0.49) PIK3CATNIKBRD4NEK1CYP3A4
SCHEMBL298357 0.86 CYP3A4 (0.52) PIK3CABRD4CYP3A4
SCHEMBL3698939 0.86 PIK3CA (0.49) PIK3CABRD4NEK1NTRK1KIT
SCHEMBL298808 0.84 CYP3A4 (0.49) PIK3CABRD4CYP3A4MAP2K7MAP2K4
SCHEMBL299508 0.84 CYP3A4 (0.53) PIK3CABRD4CYP3A4MAP2K7MAP2K4
SCHEMBL297350 0.84 CYP3A4 (0.51) PIK3CATNIKBRD4KITCYP3A4
SCHEMBL878738 0.84 TNIK (0.55) PIK3CATNIKAAK1

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 3 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

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 PIK3CA 277/4885TNIK 1393/4885BRD4 2367/4885

“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.