SCHEMBL7213819

SCHEMBL7213819

NCc1cnc2c(c1)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.34
LOXL2 Q9Y4K0 2/20 0.32
KIF11 P52732 2/20 0.31
NTRK1 P04629 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL857137 0.78 GRM5 (0.36) GRM5SIRT2CYP11B1CYP11B2
SCHEMBL7396759 0.78 KIF11 (0.39) LOXL2KIF11
SCHEMBL7214045 0.72 FGFR1 (0.33) NPC1RAB9ACYP11B1CYP11B2
SCHEMBL28083639 0.72 CYP1A2 (0.44) CYP11B1CYP11B2
SCHEMBL27308250 0.71 PI4KA (0.46) RAB9A
SCHEMBL7394037 0.71 LTA4H (0.40) LOXL2KIF11CYP11B1CYP11B2
SCHEMBL7214729 0.71 FGFR1 (0.48) GRM5NPC1RAB9A
Carbamic Acid SCHEMBL17892698 0.69 CYP1A2 (0.40) CYP11B1CYP11B2
SCHEMBL2968392 0.68 NPC1 (0.39) NPC1RAB9A
SCHEMBL9049120 0.68 MAPT (0.38) NPC1RAB9ACYP11B1CYP11B2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610701-B2 For therapy and prophylaxis of blood coagulation and cardiovascular disorders MERCK & CO., INC. 2003-08-26 US disclosed
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed
US-20020193398-A1 Thrombin inhibitors MERCK & CO., INC. 2002-12-19 US disclosed
WO-2002064211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 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-20020193398-A1 Thrombin inhibitors F2, F3, TFPI GRM5 4676/4885LOXL2 4288/4885KIF11 4532/4885

“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.