SCHEMBL2074950

SCHEMBL2074950

N#Cc1c(F)cccc1NCCc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
LRRK2 Q5S007 1/20 0.44
ACHE P22303 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NRP1 O14786 3/20 0.42
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH3 Q9ULD8 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
MKNK1 Q9BUB5 4/20 0.37
MKNK2 Q9HBH9 4/20 0.37
KDM6B O15054 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
F2 P00734 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL12956699 0.76 KDM4E (0.55) KDM4ELRRK2ACHEALDH1A1MAPT
SCHEMBL25057053 0.75 KDM4E (0.54) KDM4ELRRK2ACHEALDH1A1NRP1
SCHEMBL2074476 0.74 HPGD (0.60) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL5783945 0.72 KDM4E (0.51) KDM4EACHEALDH1A1SMN1; SMN2NRP1
SCHEMBL27393494 0.72 KDM4E (0.57) KDM4ELRRK2ACHEALDH1A1SMN1; SMN2
SCHEMBL5215622 0.72 CYP11B1 (0.46) MAPTLMNATSHR
SCHEMBL2074328 0.72 QPCT (0.64) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL6885736 0.72 KDM4E (0.43) KDM4ELRRK2ACHETAAR1
SCHEMBL22904299 0.72 KDM4E (0.61) KDM4ELRRK2ACHEALDH1A1SMN1; SMN2
SCHEMBL2073449 0.70 KDM4E (0.49) KDM4EACHEALDH1A1SMN1; SMN2NRP1

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 2504/4885LRRK2 1337/4885ACHE 4850/4885

“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.