SCHEMBL12190318

SCHEMBL12190318

CCCN1CCN(C(=O)c2ccc(Nc3ncc(NC(=O)c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4Cl)cn3)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.61
▸ TNK2 Q07912 1/20 0.58
▸ MAP4K2 Q12851 1/20 0.58
▸ LCK P06239 11/20 0.55
▸ MAPK14 Q16539 5/20 0.55
▸ CSF1R P07333 4/20 0.55
▸ SRC P12931 2/20 0.55
▸ JAK2 O60674 2/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ FYN P06241 1/20 0.55
▸ LYN P07948 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ TEK Q02763 1/20 0.55
▸ BLK P51451 2/20 0.54
▸ PDGFRB P09619 1/20 0.53
▸ FGFR1 P11362 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ BRAF P15056 1/20 0.53
▸ EPHB4 P54760 1/20 0.53

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
SCHEMBL2492366 0.94 BTK (0.61) BTKTNK2MAP4K2LCKMAPK14
SCHEMBL12190171 0.85 BTK (0.63) BTKLCKMAPK14CSF1RSRC
SCHEMBL2493865 0.85 LCK (0.68) BTKLCKMAPK14CSF1RSRC
SCHEMBL2495621 0.82 BTK (0.75) BTKLCKMAPK14CSF1RJAK2
SCHEMBL2495207 0.80 BTK (0.64) BTKLCKMAPK14CSF1RSRC
SCHEMBL2499022 0.80 BTK (0.64) BTKLCKMAPK14CSF1RSRC
SCHEMBL265393 0.80 BTK (0.64) BTKLCKMAPK14CSF1RSRC
SCHEMBL2950352 0.79 LCK (0.84) BTKLCKMAPK14CSF1RSRC
SCHEMBL2500715 0.79 BTK (0.68) BTKLCKMAPK14CSF1RSRC
SCHEMBL2494622 0.79 LCK (0.71) BTKLCKMAPK14CSF1RSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 — — US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 — — 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-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 BTK 44/4885TNK2 136/4885MAP4K2 66/4885

“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.

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