SCHEMBL615235

SCHEMBL615235

O=C(NCCN1CCCC1)Nc1ccc(Nc2nc3ccc(-c4cc(O)ccc4Cl)cn3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.51
SRC P12931 13/20 0.48
CNR1 P21554 1/20 0.48
PDGFRB P09619 6/20 0.46
YES1 P07947 3/20 0.46
KDR P35968 3/20 0.46
EPHB4 P54760 2/20 0.46
CIT O14578 1/20 0.42
GAK O14976 1/20 0.42
EPHB6 O15197 1/20 0.42
RIPK2 O43353 1/20 0.42
PRKD3 O94806 1/20 0.42
LCK P06239 1/20 0.42
RET P07949 1/20 0.42
BCR P11274 1/20 0.42
BRAF P15056 1/20 0.42
EPHA2 P29317 1/20 0.42
EPHB2 P29323 1/20 0.42
TYK2 P29597 1/20 0.42
ACVR1B P36896 1/20 0.42

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
SCHEMBL2883089 0.89 ABL1 (0.44) ABL1SRCCNR1PDGFRBYES1
SCHEMBL612970 0.83 SRC (0.62) ABL1SRCPDGFRBYES1KDR
SCHEMBL613380 0.81 DRD2 (0.44) ABL1SRCPDGFRBYES1KDR
SCHEMBL40869 0.79 SRC (0.52) ABL1SRCPDGFRBYES1KDR
SCHEMBL41896 0.77 SRC (0.48) ABL1SRCPDGFRBYES1KDR
SCHEMBL614557 0.77 SRC (0.63) ABL1SRCPDGFRBYES1KDR
SCHEMBL613379 0.77 LRRK2 (0.47) ABL1SRCPDGFRBYES1KDR
SCHEMBL42350 0.77 SRC (0.51) ABL1SRCPDGFRBYES1KDR
SCHEMBL615134 0.76 SRC (0.53) ABL1SRCPDGFRBYES1KDR
SCHEMBL611762 0.76 SRC (0.53) ABL1SRCPDGFRBYES1KDR

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-20120041195-A1 Heterocyclic compounds FOVEA PHARMACEUTICALS 2012-02-16 US claimed
US-20120041195-A1 Heterocyclic compounds FOVEA PHARMACEUTICALS 2012-02-16 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-20120041195-A1 Heterocyclic compounds MAP3K1, MAP3K5, MAP3K2 ABL1 913/4885SRC 1204/4885CNR1 1939/4885

“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.