SCHEMBL9898012

SCHEMBL9898012

Clc1ncnc2[nH]cc(CN3CCC4(CC3)OCCO4)c12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
LRRK2 Q5S007 6/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ALOX15 P16050 1/20 0.37
AKT1 P31749 4/20 0.36
DRD4 P21917 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
STK4 Q13043 4/20 0.35
STK3 Q13188 4/20 0.35
PARP1 P09874 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
SCHEMBL9928284 0.84 CHEK1 (0.42) CHEK1TSHRLRRK2ALOX15AKT1
SCHEMBL30974955 0.82 ALOX15 (0.51) CHEK1TSHRKDM4EHTTLRRK2
SCHEMBL9928271 0.82 LRRK2 (0.36) TSHRKDM4EALDH1A1GAAHTT
SCHEMBL9928285 0.78 CHEK1 (0.37) CHEK1LRRK2ALOX15AKT1DRD4
SCHEMBL9928283 0.77 DRD2 (0.46) CHEK1TSHRALDH1A1LRRK2HRH3
SCHEMBL9928286 0.75 CHEK1 (0.40) CHEK1LRRK2ALOX15AKT1DRD4
SCHEMBL9897735 0.73 EGFR (0.49) LRRK2
SCHEMBL9943114 0.72 BTK (0.36) ALOX15AKT1DRD4DRD2DRD3
SCHEMBL9928287 0.71 CHEK1 (0.40) CHEK1LRRK2ALOX15AKT1STK4
SCHEMBL9943132 0.69 NPFFR1 (0.37) AKT1DRD4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511276-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE Ube Industries, Ltd. (JP) 2012-10-17 EP disclosed
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 US disclosed
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 US disclosed
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 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-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE ERBB2, EGFR, FGFR1 CHEK1 259/4885TSHR 178/4885KDM4E 3172/4885

“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.