SCHEMBL3083430

SCHEMBL3083430

Cc1nn(Cc2cnn(-c3ccccc3)c2C)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.47
SMO Q99835 3/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
P2RX7 Q99572 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
RET P07949 1/20 0.36
GAA P10253 1/20 0.35
PIM1 P11309 2/20 0.35
HCRTR1 O43613 1/20 0.35
EGLN2 Q96KS0 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
SCHEMBL3083349 0.91 AR (0.60) ARSMOP2RX7MEN1KMT2A
SCHEMBL3089368 0.84 AR (0.42) ARMEN1KMT2APOLBRET
SCHEMBL3082085 0.84 AR (0.48) ARMEN1KMT2AGAAEGLN2
SCHEMBL3081229 0.83 AR (0.50) ARPOLBGAA
SCHEMBL3063842 0.81 AR (0.48) ARPOLBGAA
SCHEMBL3069313 0.80 AR (0.46) ARMEN1KMT2APOLBHCRTR1
SCHEMBL3084012 0.80 AR (0.45) ARMEN1KMT2APOLBGAA
SCHEMBL3076247 0.80 AR (0.42) ARMEN1KMT2APOLBRET
SCHEMBL3069848 0.80 AR (0.47) ARMEN1KMT2APOLBGAA
SCHEMBL3075351 0.79 AR (0.47) ARMEN1KMT2AGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 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 (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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 AR 1/4885SMO 302/4885DRD2 400/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885SMO 312/4885DRD2 455/4885

“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.