SCHEMBL1018704

SCHEMBL1018704

Clc1nc(N2CCCCC2)c2cc[nH]c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.59
HRH4 Q9H3N8 2/20 0.52
PIK3CA P42336 2/20 0.51
PIK3R1 P27986 1/20 0.51
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
JAK2 O60674 1/20 0.43
HTR2C P28335 1/20 0.43
METTL3 Q86U44 1/20 0.43
PAK4 O96013 2/20 0.42
MAT2A P31153 1/20 0.42
KIT P10721 1/20 0.41
AKT2 P31751 1/20 0.41
GSK3B P49841 1/20 0.41
RPS6KB1 P23443 1/20 0.41
DOT1L Q8TEK3 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MTOR P42345 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL1017284 0.98 JAK3 (0.58) JAK3HRH4PIK3CAPIK3R1ALDH1A1
SCHEMBL3130856 0.85 PIK3CA (0.72) JAK3HRH4PIK3CAPIK3R1SMN1; SMN2
SCHEMBL14320582 0.81 HRH4 (0.76) JAK3HRH4PIK3CAPIK3R1JAK2
SCHEMBL9216879 0.81 PIK3CA (0.75) JAK3HRH4PIK3CAPIK3R1ALDH1A1
SCHEMBL2044201 0.79 JAK3 (0.58) JAK3HRH4PIK3CAPIK3R1SMN1; SMN2
SCHEMBL1444374 0.79 JAK3 (0.58) JAK3HRH4PIK3CAPIK3R1JAK2
SCHEMBL14320465 0.79 HRH4 (0.78) JAK3HRH4PIK3CAPIK3R1HTR2C
SCHEMBL4908505 0.78 PLD1 (0.44) JAK3HRH4PIK3CAPIK3R1ALDH1A1
SCHEMBL4906547 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HTR2CMETTL3
SCHEMBL1018334 0.77 TSHR (0.47) JAK3HRH4PIK3CAPIK3R1SMN1; SMN2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
CN-103224497-A Inhibitors of protein kinases PORTOLA PHARM INC 2013-07-31 CN disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 US disclosed
CN-101679440-A Pyrrolopyrimidine derivatives as jak3 inhibitors PALAU PHARMA SA 2010-03-24 CN disclosed
EP-2142550-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS Palau Pharma, S.A. (ES) 2010-01-13 EP disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed
WO-2008119792-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S. A. (ES) 2008-10-09 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 (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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 JAK3 6/4885HRH4 2799/4885PIK3CA 36/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885HRH4 1763/4885PIK3CA 320/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 JAK3 6/4885HRH4 2799/4885PIK3CA 36/4885

“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.