SCHEMBL4856487

SCHEMBL4856487

COc1cnc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(F)cn2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.56
F10 P00742 5/20 0.52
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
ABCB1 P08183 1/20 0.47
KCNH2 Q12809 3/20 0.47
F2 P00734 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
GAA P10253 2/20 0.45
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
SLC6A3 Q01959 1/20 0.44
DEGS1 O15121 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AHR P35869 1/20 0.43

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
SCHEMBL4848535 0.90 F10 (0.53) GRM5F10ABCB1KCNH2NPC1
SCHEMBL4848484 0.82 F10 (0.65) F10KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL4858178 0.81 F10 (0.57) GRM5F10KCNH2NPC1RAB9A
SCHEMBL8353943 0.78 F10 (0.51) GRM5F10ABCB1NPC1RAB9A
SCHEMBL4858740 0.77 F10 (0.61) F10MEN1KMT2AKCNH2NPC1
SCHEMBL5201184 0.76 F10 (0.59) F10
SCHEMBL4857507 0.76 F10 (0.66) F10KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL4852753 0.76 F10 (0.61) F10KCNH2
SCHEMBL5201319 0.74 F10 (0.53) F10KCNH2
SCHEMBL7135465 0.74 F10 (0.41) GRM5F10

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-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-20040242581-A1 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY 2004-12-02 US disclosed
EP-1456175-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003050088-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2003-06-19 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-20040242581-A1 Substituted heterocyclic carboxamides with antithrombotic activity F11, SERPINC1, TFPI GRM5 4395/4885F10 15/4885MEN1 836/4885

“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.