SCHEMBL9977852

SCHEMBL9977852

Cc1cccc(-c2ccn(CCN)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.50
CCR8 P51685 1/20 0.50
METAP2 P50579 1/20 0.38
MBOAT4 Q96T53 1/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CYP2A6 P11509 1/20 0.35
TGFBR1 P36897 6/20 0.35
MAPK14 Q16539 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
NR5A2 O00482 1/20 0.34
RORC P51449 3/20 0.34
STK3 Q13188 1/20 0.32
SIK2 Q9H0K1 1/20 0.32
STK26 Q9P289 1/20 0.32
STK24 Q9Y6E0 1/20 0.32
TGFBR2 P37173 1/20 0.32

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
SCHEMBL29839048 0.84 CCR1 (0.50) CCR1CCR8METAP2MBOAT4CYP2A6
SCHEMBL15984940 0.78 CCR1 (0.64) CCR1CCR8METAP2NOS3NOS2
SCHEMBL30509464 0.78 CCR1 (0.64) CCR1CCR8METAP2NOS3NOS2
SCHEMBL984869 0.74
SCHEMBL6917539 0.71 KMT2A (0.55) NR5A2
SCHEMBL29504947 0.71 CCR1 (0.59) CCR1CCR8METAP2NOS3NOS2
SCHEMBL196966 0.71 CCR1 (1.00) CCR1CCR8METAP2NOS3NOS2
SCHEMBL30511194 0.71 CCR1 (1.00) CCR1CCR8METAP2NOS3NOS2
SCHEMBL29388304 0.71 CCR1 (1.00) CCR1CCR8METAP2NOS3NOS2
Hydrochloric Acid SCHEMBL14736263 0.70 KMT2A (0.53) NR5A2

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-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
EP-2653469-A1 PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-10-23 EP disclosed
WO-2012081692-A1 PYRAZOLE DERIVATIVE 大正製薬株式会社 (JP) 2012-06-21 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-20130281465-A1 PYRAZOLE DERIVATIVE HCRTR1, HCRTR2, NPY4R CCR1 1447/4885CCR8 2048/4885METAP2 4226/4885

“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.