SCHEMBL3448255

SCHEMBL3448255

Cc1cc(C(F)(F)F)nn1-c1nc(Nc2cc(Cl)cc(C#N)c2)ncc1Br

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.36
SYK P43405 7/20 0.36
RIPK1 Q13546 1/20 0.35
CNR2 P34972 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PAK1 Q13153 1/20 0.33
IDH2 P48735 1/20 0.33
SELP P16109 1/20 0.32
TYRO3 Q06418 1/20 0.32
GRM5 P41594 1/20 0.32
LRRK2 Q5S007 2/20 0.32

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
SCHEMBL13310694 0.90 IDH1 (0.47) IDH1SYKIDH2GRM5
SCHEMBL3447286 0.86 SYK (0.48) SYKCNR2GRM5
SCHEMBL3450756 0.84 IGF1R (0.41) SYKCNR2HDAC3HDAC1HDAC2
SCHEMBL3376126 0.83 SYK (0.45) IDH1SYKCNR2HDAC3HDAC1
SCHEMBL3451277 0.82 IDH1 (0.46) IDH1SYKCNR2
SCHEMBL3375916 0.82 SYK (0.39) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3374643 0.81 IGF1R (0.47) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3376986 0.80 ULK1 (0.45)
SCHEMBL3452432 0.80 SYK (0.45) SYKRIPK1CNR2
SCHEMBL13311795 0.79 IGF1R (0.46) SYKIDH2

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-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

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD IDH1 718/4885SYK 804/4885RIPK1 4770/4885

“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.