SCHEMBL913862

SCHEMBL913862

Nc1cnc(N)c(-c2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.50
▸ CHEK2 O96017 1/20 0.48
▸ KDM4E B2RXH2 7/20 0.46
▸ LMNA P02545 4/20 0.46
▸ CCR1 P32246 3/20 0.46
▸ CCR5 P51681 3/20 0.46
▸ CCR8 P51685 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ METAP1 P53582 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ DOHH Q9BU89 1/20 0.46
▸ P4HTM Q9NXG6 1/20 0.46
▸ KDM1A O60341 2/20 0.44
▸ L3MBTL1 Q9Y468 5/20 0.43
▸ ALOX15 P16050 3/20 0.43
▸ ADORA2A P29274 1/20 0.41
▸ TP53 P04637 6/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41

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
SCHEMBL3134723 0.86 KDM4E (0.44) TDO2CHEK2KDM4ELMNACCR1
SCHEMBL16405693 0.77 KDM4E (0.50) TDO2KDM4ELMNACCR1CCR5
SCHEMBL30802290 0.76 KDM4E (0.54) TDO2KDM4ELMNACCR1CCR5
SCHEMBL844746 0.76 KDM4E (0.54) TDO2KDM4ELMNACCR1CCR5
SCHEMBL462513 0.76 KDM1A (0.49) TDO2KDM4ELMNACCR1CCR5
SCHEMBL3543470 0.75 MAP4K4 (0.59) TDO2CHEK2LMNAMAP4K4ASIC3
SCHEMBL22574434 0.74 KDM4E (0.46) TDO2KDM4ELMNACCR1CCR5
SCHEMBL19053832 0.74 KDM4E (0.50) TDO2CHEK2KDM4ELMNACCR1
Hydrochloric Acid SCHEMBL7085954 0.74 KDM1A (0.48) TDO2KDM4ELMNACCR1CCR5
Hydrochloric Acid SCHEMBL7085962 0.74 KDM1A (0.48) TDO2KDM4ELMNACCR1CCR5

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-20110003859-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2011-01-06 — — US disclosed
EP-2265574-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2010-12-29 — — EP disclosed
WO-2009111280-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2009-09-11 — — 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-20110003859-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER BRAF, RAF1, ARAF TDO2 4151/4885CHEK2 299/4885KDM4E 3395/4885

“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.

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