SCHEMBL7214045

SCHEMBL7214045

NCc1cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cn1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.33
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SRC P12931 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
GAA P10253 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
SCHEMBL7394037 0.74 LTA4H (0.40) FGFR1CYP11B1CYP11B2
SCHEMBL9231437 0.74 FGFR1 (0.56) FGFR1HPGDNPC1RAB9AMAPT
SCHEMBL7213819 0.72 GRM5 (0.34) NPC1RAB9ACYP11B1CYP11B2
SCHEMBL2794301 0.72 HTT (0.48) FGFR1HPGDCYP11B1CYP11B2
SCHEMBL3852750 0.72 NPC1 (0.47) FGFR1HPGDNPC1RAB9ATP53
SCHEMBL28738388 0.71 NPC1 (0.39) FGFR1HPGDNPC1RAB9ASRC
SCHEMBL3855438 0.71 FGFR1 (0.56) FGFR1HPGDNPC1RAB9ACYP11B1
SCHEMBL1878053 0.71 FGFR1 (0.56) FGFR1HPGDNPC1RAB9ASRC
SCHEMBL3042174 0.71 NPC1 (0.41) FGFR1HPGDNPC1RAB9ASRC
SCHEMBL9049120 0.70 MAPT (0.38) FGFR1HPGDNPC1RAB9ACYP11B1

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-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
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 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 FGFR1 3124/4885HPGD 2066/4885NPC1 3343/4885

“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.