SCHEMBL10200020

SCHEMBL10200020

CN(c1ccc2c(n1)OCCNC2)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.36
JAK1 P23458 5/20 0.34
LCK P06239 5/20 0.34
JAK2 O60674 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MCHR1 Q99705 1/20 0.32
PIM1 P11309 1/20 0.31
PARP14 Q460N5 1/20 0.31

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
SCHEMBL10200712 0.99 JAK3 (0.35) JAK3SMN1; SMN2MITFALDH1A1PKM
Bromide SCHEMBL2110083 0.97 JAK3 (0.34) JAK3SMN1; SMN2MITFALDH1A1PKM
SCHEMBL10200706 0.97 JAK3 (0.33) JAK3SMN1; SMN2MITFALDH1A1PKM
Bromide SCHEMBL2111881 0.96 JAK3 (0.33) JAK3SMN1; SMN2MITFALDH1A1PKM
SCHEMBL10200699 0.94 FLT3 (0.30)
Bromide SCHEMBL2112545 0.92
Trifluoroacetic Acid SCHEMBL2110358 0.90 JAK3 (0.37) JAK3SMN1; SMN2MITFALDH1A1PKM
SCHEMBL10200693 0.90 LMNA (0.32) SMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL2109934 0.89 LMNA (0.31) SMN1; SMN2LMNA
SCHEMBL10200689 0.81 NCF1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 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 (3 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B JAK3 1662/4885SMN1; SMN2 3017/4885MITF 1129/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B JAK3 1662/4885SMN1; SMN2 3017/4885MITF 1129/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B JAK3 1662/4885SMN1; SMN2 3017/4885MITF 1129/4885

“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.