SCHEMBL298969

SCHEMBL298969

c1cc2cc(CCCN3CCCC3)cnc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.51
FGFR1 P11362 1/20 0.51
TERT O14746 2/20 0.43
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
LTA4H P09960 2/20 0.41
CD274 Q9NZQ7 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40
SIGMAR1 Q99720 3/20 0.40
CDK1 P06493 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
ABL1 P00519 1/20 0.40
INSR P06213 1/20 0.40
CDK2 P24941 1/20 0.40
FLT3 P36888 1/20 0.40
MAP3K11 Q16584 1/20 0.40
CDK8 P49336 2/20 0.40
HRH4 Q9H3N8 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
SCHEMBL299250 0.88 CD274 (0.53) KDRFGFR1CD274SIGMAR1IKBKB
SCHEMBL7874310 0.83 FGFR1 (0.49) KDRFGFR1SLC6A4SLC6A3HRH3
SCHEMBL298617 0.79 MAP3K11 (0.58) KDRFGFR1HRH3CDK1IKBKB
SCHEMBL19891723 0.77 KDR (0.62) KDRFGFR1CDK1ABL1INSR
SCHEMBL1267643 0.76 LTA4H (0.64) LTA4HHRH3
SCHEMBL3263731 0.76 KDR (0.61) KDRFGFR1CDK1ABL1INSR
SCHEMBL298329 0.75 NPC1 (0.49) KDRFGFR1FLT3
SCHEMBL1266662 0.75 LTA4H (0.62) LTA4HHRH3
SCHEMBL7874293 0.74 MAP3K11 (0.61) KDRFGFR1CDK1IKBKBCHUK
SCHEMBL11990128 0.73 KDR (0.66) KDRFGFR1CDK1ABL1INSR

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 6 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
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 KDR 1406/4885FGFR1 129/4885TERT 4415/4885

“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.