SCHEMBL1704088

SCHEMBL1704088

COc1ccc(Cn2cc(N)cn2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MAPT P10636 2/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PKM P14618 2/20 0.49
DBH P09172 1/20 0.45
TAS2R8 Q9NYW2 1/20 0.44
CSF1R P07333 1/20 0.43
KLKB1 P03952 1/20 0.42
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 1/20 0.41
HTT P42858 1/20 0.41
ALKBH1 Q13686 1/20 0.41
CACNA1H O95180 3/20 0.41
PKLR P30613 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
Hydrochloric Acid SCHEMBL30744342 0.84 ALDH1A1 (0.44) MEN1KMT2AMAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL21492221 0.84 ALDH1A1 (0.44) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL15520076 0.83 MAPT (0.63) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL1416056 0.83 MAPT (0.67) MEN1KMT2AMAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL28517921 0.81 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1DBHTAS2R8MAPK1
SCHEMBL30063989 0.79 ROCK2 (0.39) MEN1KMT2AALDH1A1L3MBTL1DBH
SCHEMBL15652736 0.77 TAS2R8 (0.46) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL165409 0.77 MEN1 (0.69) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL20421216 0.76 CACNA1H (0.53) ALDH1A1L3MBTL1DBHCSF1RROCK2
SCHEMBL15652545 0.75 DBH (0.50) MEN1KMT2ALMNAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426408-B2 Pyrimidine inhibitors of kinases ABBVIE INC. (US) 2013-04-23 US disclosed
EP-2440548-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS Abbott Laboratories (US) 2012-04-18 EP disclosed
US-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2010-12-16 US disclosed
WO-2010144468-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-12-16 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-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES AURKA, AURKC, AURKB MEN1 1727/4885KMT2A 849/4885MAPT 2310/4885

“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.