SCHEMBL3449668

SCHEMBL3449668

CSc1nc(Nc2cc(F)cc(C#N)c2)ncc1Br

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.50
SYK P43405 2/20 0.41
IDH1 O75874 5/20 0.41
CDC7 O00311 1/20 0.39
CDK1 P06493 2/20 0.36
CDK2 P24941 2/20 0.36
IDH2 P48735 1/20 0.36
IGF1R P08069 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
KDR P35968 1/20 0.34
PAX8 Q06710 1/20 0.34

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
SCHEMBL3450501 0.87 HDAC3 (0.44) SYKCDK1CDK2IGF1RHDAC3
SCHEMBL3449867 0.86 SELP (0.38) GRM5SYKCDK1CDK2IGF1R
SCHEMBL3344744 0.82 SYK (0.56) GRM5SYKCDC7CDK1CDK2
SCHEMBL3447995 0.80 IGF1R (0.47) SYKCDK2IGF1RHDAC3HDAC1
SCHEMBL3449648 0.79 GRM5 (0.51) GRM5SYKIDH1CDC7CDK1
SCHEMBL3348225 0.75 IGF1R (0.55) SYKCDK2IGF1RHDAC3HDAC1
SCHEMBL3449221 0.74 KDR (0.42) SYKCDK1CDK2IGF1RKDR
SCHEMBL13310694 0.72 IDH1 (0.47) GRM5SYKIDH1CDC7IDH2
SCHEMBL3350947 0.71 MAPK1 (0.51) SYKIGF1R
SCHEMBL4584347 0.69 IGF1R (0.48) SYKCDK1CDK2IGF1RKDR

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 GRM5 4055/4885SYK 804/4885IDH1 718/4885

“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.