SCHEMBL900373

SCHEMBL900373

O=C1CNCCN1c1ccnc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 8/20 0.62
ADRB2 P07550 4/20 0.62
AR P10275 1/20 0.47
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
HIF1A Q16665 1/20 0.45
HTR6 P50406 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
KCNH2 Q12809 1/20 0.40
ACVR1 Q04771 2/20 0.39
TGFBR1 P36897 1/20 0.39
PARP1 P09874 1/20 0.39
ADRB1 P08588 1/20 0.39
PIM1 P11309 1/20 0.39
HTR2C P28335 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL15872113 0.81 ADRB2 (0.66) NCF1ADRB2CYP3A4MAPTKCNH2
SCHEMBL30041391 0.77 NCF1 (1.00) NCF1ADRB2TSHRNFKB1HTR6
SCHEMBL900231 0.77 NCF1 (1.00) NCF1ADRB2TSHRNFKB1HTR6
SCHEMBL3650828 0.76 HTR6 (0.58) NCF1TSHRNFKB1HTR6LMNA
Hydrochloric Acid SCHEMBL30061214 0.76 NCF1 (0.97) NCF1ADRB2TSHRNFKB1HTR6
Hydrochloric Acid SCHEMBL3660237 0.75 ALDH1A1 (0.59) NCF1TSHRNFKB1HTR6LMNA
SCHEMBL27328127 0.74 KMT2A (0.41) CYP3A4TSHRNFKB1THPOHIF1A
SCHEMBL1161095 0.73 PLD1 (0.56) CYP3A4TSHRACVR1PIM1
SCHEMBL23452977 0.72 NCF1 (0.68) NCF1ADRB2ARKCNH2ADRB1
SCHEMBL23412205 0.72 NCF1 (0.88) NCF1ADRB2TSHRNFKB1HTR6

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-2621923-B1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INT BV (NL) 2017-03-29 EP disclosed
US-8883791-B2 N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases INTERVET INC. (US) 2014-11-11 US disclosed
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INC. 2013-08-08 US disclosed
EP-2621923-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES Intervet International B.V. (NL) 2013-08-07 EP disclosed
WO-2012041872-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 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-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES PIGO, HNMT, PIGS NCF1 823/4885ADRB2 1965/4885AR 4781/4885

“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.