SCHEMBL3451579

SCHEMBL3451579

COc1cc(Nc2ncc(-c3cnc(N(C)C)c(C(=O)O)c3)c(-n3ccc(C(F)(F)F)n3)n2)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.40
AXL P30530 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
CNR2 P34972 2/20 0.37
MAPK3 P27361 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL3447579 0.94 TYRO3 (0.39) SYKAXLTYRO3MERTKCNR2
SCHEMBL3375491 0.91 SYK (0.41) SYKTYRO3MERTKCNR2MAPK3
SCHEMBL3448113 0.89 SYK (0.40) SYKTYRO3MERTKCNR2MAPK3
SCHEMBL3376598 0.88 SYK (0.39) SYKTYRO3MERTKCNR2MAPK3
SCHEMBL3448316 0.87 SYK (0.40) SYKTYRO3MERTKCNR2MAPK3
SCHEMBL3448415 0.87 SYK (0.39) SYKTYRO3MERTKCNR2MAPK3
SCHEMBL3376264 0.87 SYK (0.46) SYK
SCHEMBL3376690 0.86 TYRO3 (0.40) SYKAXLTYRO3MERTKCNR2
SCHEMBL3447869 0.86 SYK (0.40) SYKTYRO3MERTKCNR2MAPK3
SCHEMBL3448433 0.86 SYK (0.39) SYKTYRO3MERTKCNR2MAPK3

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-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 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 (2 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD SYK 804/4885AXL 2812/4885TYRO3 2798/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 SYK 780/4885AXL 236/4885TYRO3 375/4885

“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.