SCHEMBL3711232

SCHEMBL3711232

NC(=O)c1ccc(F)c(C(=O)c2c[nH]c3ncccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.54
MAP2K1 Q02750 1/20 0.49
NEK2 P51955 3/20 0.48
BRAF P15056 2/20 0.47
KDR P35968 2/20 0.44
CNR2 P34972 1/20 0.41
PRKCI P41743 1/20 0.41
RIPK1 Q13546 1/20 0.40
PKM P14618 1/20 0.40
ADORA2A P29274 1/20 0.40
PARP1 P09874 1/20 0.39
CDK2 P24941 4/20 0.39
CDC7 O00311 3/20 0.39
ROCK2 O75116 2/20 0.39
PIM1 P11309 2/20 0.39
GSK3B P49841 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL298562 0.85 MAP2K1 (0.51) CAMKK2MAP2K1NEK2BRAFKDR
SCHEMBL857560 0.84 MAP2K1 (0.52) CAMKK2MAP2K1NEK2BRAFKDR
SCHEMBL3709076 0.83 NEK2 (0.63) CAMKK2MAP2K1NEK2KDRCNR2
SCHEMBL3697175 0.82 BRAF (0.49) MAP2K1NEK2BRAFKDRRIPK1
SCHEMBL12148130 0.82 MAP2K1 (0.50) CAMKK2MAP2K1NEK2BRAFKDR
SCHEMBL3505473 0.81 BRAF (0.52) MAP2K1NEK2BRAFKDRRIPK1
SCHEMBL3707415 0.81 BRAF (0.52) MAP2K1NEK2BRAFKDRRIPK1
SCHEMBL857351 0.81 MAP2K1 (0.57) CAMKK2MAP2K1NEK2BRAFKDR
SCHEMBL27708260 0.80 MAP2K1 (0.71) CAMKK2MAP2K1NEK2BRAFKDR
SCHEMBL857086 0.80 MAP2K1 (0.57) MAP2K1NEK2BRAFKDRCNR2

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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US 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 CAMKK2 497/4885MAP2K1 131/4885NEK2 949/4885

“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.