SCHEMBL4818862

SCHEMBL4818862

N#CCCN1CCN(Cc2ccc3c(c2)C(=O)CC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 5/20 0.44
TSHR P16473 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.41
CHKA P35790 3/20 0.40
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
PBRM1 Q86U86 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 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
SCHEMBL4817999 0.93 HRH3 (0.47) HRH3ALDH1A1GAATSHRMAPT
SCHEMBL4818654 0.87 HRH3 (0.40) HRH3ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL4815397 0.84 LMNA (0.49) HRH3ALDH1A1CHKALMNAPBRM1
SCHEMBL4814699 0.83 HRH3 (0.47) HRH3CHKALMNAPBRM1
SCHEMBL4814489 0.81 HRH3 (0.56) HRH3ALDH1A1HSD17B10POLBHPGD
SCHEMBL4894879 0.80 ALDH1A1 (0.49) HRH3ALDH1A1TSHRMAPTMAPK1
SCHEMBL4817811 0.80 HRH3 (0.44) HRH3ALDH1A1CHKAPBRM1
SCHEMBL4817712 0.80 HRH3 (0.53) HRH3KMT2A
SCHEMBL4807925 0.79 KDM4E (0.48) HRH3ALDH1A1PBRM1
SCHEMBL4820190 0.77 KDM4E (0.48) HRH3ALDH1A1TSHRPOLBPBRM1

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
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 HRH3 2235/4885ALDH1A1 3901/4885GAA 1477/4885

“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.