SCHEMBL8010465

SCHEMBL8010465

Nc1ccc(F)cc1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.45
METAP2 P50579 1/20 0.45
CBFB Q13951 1/20 0.45
KDM4E B2RXH2 4/20 0.45
LMNA P02545 3/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
TDO2 P48775 1/20 0.45
CASP6 P55212 1/20 0.45
NPY5R Q15761 1/20 0.43
TGFBR1 P36897 2/20 0.42
MAPK14 Q16539 1/20 0.42
PIK3CD O00329 1/20 0.42

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
Ammonia Solution, Strong SCHEMBL12472687 0.98 METAP1 (0.44) METAP1METAP2CBFBKDM4ELMNA
SCHEMBL462513 0.81 KDM1A (0.49) METAP1METAP2KDM4ELMNACCR1
SCHEMBL5845698 0.81 GRM5 (0.51) METAP1METAP2CBFBKDM4ELMNA
Hydrochloric Acid SCHEMBL7085954 0.80 KDM1A (0.48) METAP1METAP2KDM4ELMNACCR1
Hydrochloric Acid SCHEMBL7085964 0.80 KDM1A (0.48) METAP1METAP2KDM4ELMNACCR1
Hydrochloric Acid SCHEMBL7085962 0.80 KDM1A (0.48) METAP1METAP2KDM4ELMNACCR1
SCHEMBL1630976 0.79 IDO1 (0.50) METAP1METAP2CBFBKDM4ELMNA
SCHEMBL8252636 0.79 NPC1 (0.47) METAP1METAP2CBFBKDM4ELMNA
SCHEMBL30090498 0.79 NPC1 (0.47) METAP1METAP2CBFBKDM4ELMNA
SCHEMBL27578970 0.79 METAP1 (0.45) METAP1METAP2CBFBKDM4ELMNA

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-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-6031106-A Process and intermediate products for preparing pyridyl-4-fluoroanilines BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-6031106-A Process and intermediate products for preparing pyridyl-4-fluoroanilines BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-6031106-A Process and intermediate products for preparing pyridyl-4-fluoroanilines BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0888305-A1 PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING PYRIDYL-4-FLUOROANILINES BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997034872-A1 PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING PYRIDYL-4-FLUOROANILINES BASF AKTIENGESELLSCHAFT (DE) 1997-09-25 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-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL METAP1 2935/4885METAP2 2798/4885CBFB 3382/4885

“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.