SCHEMBL2073449

SCHEMBL2073449

COCCCNc1cccc(F)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 3/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 2/20 0.48
RAB9A P51151 2/20 0.48
ACHE P22303 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 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
SCHEMBL5783945 0.91 KDM4E (0.51) KDM4EALDH1A1HSD17B10MAPTHTT
SCHEMBL2415809 0.83 PTGER4 (0.41) KDM4EALDH1A1HSD17B10MAPTHTT
SCHEMBL2076159 0.80 ACHE (0.55) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL25057053 0.79 KDM4E (0.54) KDM4EALDH1A1HSD17B10MAPTHTT
SCHEMBL27806392 0.78 KDM4E (0.41) KDM4EALDH1A1HSD17B10MAPTHTT
SCHEMBL2418016 0.78 ALDH1A1 (0.51) ALDH1A1MAPTHTTRAB9ASMN1; SMN2
Sulfamide SCHEMBL2416013 0.78 PTGER4 (0.40) KDM4EALDH1A1HSD17B10MAPTHTT
SCHEMBL12956699 0.77 KDM4E (0.55) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL27393494 0.77 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDACHE
SCHEMBL27546031 0.76 KDM4E (0.50) KDM4EALDH1A1HSD17B10MAPTHTT

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-7863444-B2 4-aminopyrrolopyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2011-01-04 US disclosed
US-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 US disclosed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 US disclosed
CN-1335849-A Pyrrolopyrimidines as protein kinase inhibitors BASF AG (DE) 2002-02-13 CN disclosed
WO-2001072751-A1 PYRROLOPYRIMIDINES AS TYROSINE KINASE INHIBITORS KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-10-04 WO disclosed
EP-1114053-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP disclosed
WO-2000017203-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 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-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI KDM4E 2504/4885ALDH1A1 1374/4885HSD17B10 3553/4885

“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.