SCHEMBL986984

SCHEMBL986984

Nc1cnc2[nH]c(Cc3ccc(F)c(F)c3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MPO P05164 1/20 0.39
JAK2 O60674 1/20 0.39
ZAP70 P43403 1/20 0.39
SYK P43405 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM5A P29375 1/20 0.36

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
SCHEMBL986302 0.84 MAPT (0.44) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL984741 0.82 MAPT (0.36) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL986423 0.81 NPC1 (0.44) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL985853 0.79 RIPK1 (0.43) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL986239 0.78 GRIN1 (0.47) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL2973981 0.74 KDM4E (0.39) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL30770822 0.73 FGFR3 (0.40) F10
SCHEMBL3590092 0.72 TDP1 (0.39) MAPTKDM4EPKMTDP1RAD52
SCHEMBL984487 0.72 GAA (0.41) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL30819386 0.71 GAA (0.64) MAPTNPC1LMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 EP disclosed
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. 2011-01-06 US disclosed
EP-2265609-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111277-A9 IMIDAZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-12-30 WO disclosed
WO-2009111277-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS 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-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF MAPT 4751/4885NPC1 3527/4885LMNA 2465/4885

“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.