SCHEMBL5438561

SCHEMBL5438561

O=C(Nc1cccc(C2=CCNc3ccnn32)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
KCNK3 O14649 2/20 0.52
LMNA P02545 1/20 0.51
BRAF P15056 8/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PTGS1 P23219 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
RXFP1 Q9HBX9 2/20 0.49
KCNK9 Q9NPC2 1/20 0.49
PDGFRB P09619 1/20 0.48
KDR P35968 1/20 0.48
TSHR P16473 1/20 0.48
P2RX1 P51575 1/20 0.48

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
SCHEMBL5442258 0.85 DDR2 (0.53) KCNK3BRAFPDGFRB
SCHEMBL10552148 0.82 HTR2C (0.44) RAB9A
SCHEMBL5440393 0.81 KCNK3 (0.51) MAPTKCNK3LMNABRAFMEN1
SCHEMBL5438536 0.81 MEN1 (0.48) MAPTKCNK3LMNABRAFMEN1
SCHEMBL5436052 0.79 MAPT (0.49) MAPTKCNK3LMNABRAFMEN1
SCHEMBL5436375 0.79 BRAF (0.50) MAPTKCNK3LMNABRAFMEN1
SCHEMBL5435141 0.79 BRAF (0.46) MAPTKCNK3LMNABRAFMEN1
SCHEMBL5440471 0.79 BRAF (0.63) KCNK3BRAFMEN1KMT2AHTT
SCHEMBL5442174 0.79 PTGS1 (0.46) MAPTKCNK3LMNABRAFMEN1
SCHEMBL5437554 0.78 PTGS1 (0.46) MAPTKCNK3LMNABRAFMEN1

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-20070219183-A1 Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US claimed
US-20070219183-A1 Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 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-20070219183-A1 Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, DUT, TYMP MAPT 3594/4885KCNK3 3374/4885LMNA 2561/4885

“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.