SCHEMBL1906709

SCHEMBL1906709

[c]1cnn(Cc2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
CREBBP Q92793 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH1 P35367 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
LIN28A Q9H9Z2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL19260079 0.74 MAPT (0.47) ALDH1A1KMT2AMEN1PKMCREBBP
SCHEMBL2645820 0.74 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1PKMCREBBP
SCHEMBL317052 0.73 CYP19A1 (0.50) ALDH1A1CYP1A2SMN1; SMN2MAPTL3MBTL1
SCHEMBL23674896 0.71 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1PKMCREBBP
SCHEMBL28286005 0.71 CYP19A1 (0.54) ALDH1A1KMT2AMEN1PKMCREBBP
SCHEMBL1851250 0.70 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1PKMCREBBP
SCHEMBL12090074 0.70 CREBBP (0.53) ALDH1A1KMT2AMEN1PKMCREBBP
SCHEMBL15653177 0.69 DAO (0.46) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL6938242 0.69 CREBBP (0.56) ALDH1A1KMT2AMEN1PKMCREBBP
SCHEMBL28402722 0.69 CREBBP (0.52) ALDH1A1KMT2AMEN1PKMCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382257-B2 Substituted pyrrolo[2,3-b]pyrazines as serine/threonine kinase inhibitors GENENTECH, INC. (US) 2016-07-05 US disclosed
EP-2909206-A1 SERINE/THREONINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-08-26 EP disclosed
US-20150218176-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-08-06 US disclosed
WO-2014060395-A1 SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 WO disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 ALDH1A1 4287/4885KMT2A 2181/4885MEN1 1277/4885
US-20150218176-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K20 ALDH1A1 2724/4885KMT2A 2058/4885MEN1 1301/4885

“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.