SCHEMBL3033992

SCHEMBL3033992

O=C1NCCN1Cc1cccc(Br)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
MAPT P10636 2/20 0.68
CYP2C9 P11712 2/20 0.68
CYP2C19 P33261 2/20 0.68
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP11B1 P15538 1/20 0.45
ADRA2C P18825 1/20 0.45
CYP11B2 P19099 1/20 0.45
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44

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
SCHEMBL14432143 0.86 POLB (0.51) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL8711821 0.81 POLB (0.68) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL11869465 0.81 KMT2A (0.68) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL26357044 0.81 MAPT (1.00) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL3038501 0.80 SMN1; SMN2 (0.56) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL29452905 0.80 SMN1; SMN2 (0.49) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL11809969 0.80 POLB (0.69) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL152680 0.79 MAPT (0.70) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL5251522 0.79 MAPT (0.70) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL17095019 0.78 POLB (0.64) POLBMEN1KMT2AMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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 (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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 POLB 1015/4885MEN1 1423/4885KMT2A 1184/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 POLB 1015/4885MEN1 1423/4885KMT2A 1184/4885

“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.