SCHEMBL2074328

SCHEMBL2074328

N#Cc1c(F)cccc1NCCCn1ccnc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 7/20 0.64
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
GAA P10253 3/20 0.50
POLB P06746 2/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
CLK1 P49759 1/20 0.50
GLA P06280 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SOD1 P00441 2/20 0.49
PKM P14618 1/20 0.47
SCN9A Q15858 1/20 0.46

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
SCHEMBL8656806 0.74 ALDH1A1 (0.53) QPCTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL7970502 0.74 QPCT (0.63) QPCTL3MBTL1ALDH1A1KDM4ESOD1
SCHEMBL29062412 0.74 QPCT (0.69) QPCTL3MBTL1ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL3872082 0.73 QPCT (0.62) QPCTL3MBTL1ALDH1A1KDM4ESOD1
SCHEMBL11495035 0.72 SOD1 (0.67) QPCTALDH1A1SMN1; SMN2SOD1
SCHEMBL2074950 0.72 KDM4E (0.51) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL9849551 0.71 ALDH1A1 (0.60) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12956699 0.70 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL2076159 0.70 ACHE (0.55) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL2073449 0.70 KDM4E (0.49) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10

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 6 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-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 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
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 (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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN QPCT 631/4885L3MBTL1 2877/4885ALDH1A1 3091/4885
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI QPCT 1406/4885L3MBTL1 2877/4885ALDH1A1 1374/4885

“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.