SCHEMBL6607900

SCHEMBL6607900

CCCOc1cc(-c2ccccc2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.36
PKM P14618 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADORA1 P30542 2/20 0.35
ADORA2A P29274 1/20 0.35
NLRP3 Q96P20 1/20 0.35
NCEH1 Q6PIU2 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6803979 0.95 MAPT (0.37) RXFP1MAPTLMNAPRNPTDP1
SCHEMBL6602524 0.93 ADORA1 (0.40) RXFP1MAPTLMNAPRNPTDP1
SCHEMBL6602671 0.90 RXFP1 (0.39) RXFP1MAPTLMNAPRNPTDP1
SCHEMBL6606475 0.90 PTPN11 (0.41) RXFP1KMT2A
SCHEMBL6803634 0.89 TP53 (0.39) RXFP1LMNATDP1KMT2APKM
SCHEMBL6601377 0.88 RXFP1 (0.39) RXFP1MAPTLMNAPRNPTDP1
SCHEMBL6602497 0.86 PLAU (0.40) RXFP1LMNAKMT2AKDM4EALDH1A1
SCHEMBL6603578 0.85 RXFP1 (0.36) RXFP1MAPTLMNATDP1KMT2A
SCHEMBL6602616 0.84 PTGES (0.35) RXFP1MAPTLMNATDP1KMT2A
SCHEMBL6607152 0.84 MAPT (0.46) RXFP1MAPTLMNAPRNPTDP1

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-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION 2004-09-16 US disclosed
EP-1432689-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Corporation (US) 2004-06-30 EP disclosed
WO-2003027074-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders MKI67, CDK4, FLT4 RXFP1 3332/4885MAPT 3013/4885LMNA 4637/4885

“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.