SCHEMBL16429033

SCHEMBL16429033

C1=CN(c2ccncc2)CN1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NOTUM Q6P988 1/20 0.42
CHKA P35790 1/20 0.41
EED O75530 1/20 0.40
CYP3A4 P08684 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATAD2 Q6PL18 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
SCHEMBL1007069 0.88 MAPT (0.39) MAPTNPSR1CYP3A4MAPK1HTT
Bromide SCHEMBL30903858 0.85 MAPT (0.38) MAPTNPSR1CYP3A4MAPK1HTT
SCHEMBL28239363 0.85 MAPT (0.38) MAPTNPSR1CYP3A4MAPK1HTT
Hydrochloric Acid SCHEMBL1156365 0.85 SMN1; SMN2 (0.41) MAPTNPSR1CYP3A4MAPK1HTT
SCHEMBL28424843 0.79 MAPT (0.34) MAPTNPSR1CYP3A4MAPK1HTT
SCHEMBL28120267 0.79 MAPT (0.34) MAPTNPSR1NOTUMCYP3A4MAPK1
SCHEMBL27850842 0.78 KCNH2 (0.42) MAPTKDM4ESMN1; SMN2PLD1
SCHEMBL4708569 0.78 CCNC (0.40) MAPTNPSR1CYP3A4
SCHEMBL5577143 0.76 FAAH (0.34) MAPTNPSR1MAPK1HTTALDH1A1
SCHEMBL28107651 0.76 ALDH1A1 (0.39) MAPTNPSR1MAPK1HTTKDM4E

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
US-9783543-B2 Aminoimidazopyridazines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-10 US disclosed
US-9284319-B2 Heterocyclyl aminoimidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-15 US disclosed
US-20150291599-A1 AMINOIMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-15 US disclosed
US-20150038485-A1 HETEROCYCLYL AMINOIMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-02-05 US disclosed
CN-103497190-A Derivative of imidazole [4, 5-f] [1, 10] phenanthroline as well as preparation method and application thereof BOE TECHNOLOGY GROUP CO LTD 2014-01-08 CN 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 (2 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-20150038485-A1 HETEROCYCLYL AMINOIMIDAZOPYRIDAZINES CCND2, CCND1, CCNI MAPT 3271/4885NPSR1 1814/4885NOTUM 3929/4885
US-20150291599-A1 AMINOIMIDAZOPYRIDAZINES CCND2, CCND1, CCNI MAPT 3412/4885NPSR1 1645/4885NOTUM 3666/4885

“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.