SCHEMBL4178679

SCHEMBL4178679

NCc1cc2cccc(Cl)c2nc1-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.49
DPP4 P27487 1/20 0.43
CCR1 P32246 2/20 0.40
CCR5 P51681 2/20 0.40
CCR8 P51685 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
PPP1CA P62136 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PNMT P11086 2/20 0.38
TP53 P04637 2/20 0.38
ALPL P05186 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL16585320 0.90 PIK3CD (0.47) PIK3CDDPP4CCR1CCR5CCR8
SCHEMBL13406183 0.86 PIK3CD (0.49) PIK3CDCCR1CCR5CCR8ADORA2A
SCHEMBL10285816 0.80 PIK3CD (0.45) PIK3CDCCR1CCR5CCR8LMNA
SCHEMBL1313748 0.80 PNMT (0.42) PIK3CDDPP4ADORA2AADORA1SMN1; SMN2
SCHEMBL4178087 0.80 DPP4 (0.51) PIK3CDDPP4KDM4EPNMTHSP90AA1
SCHEMBL16597048 0.79 PIK3CD (0.52) PIK3CDCCR1CCR5CCR8NPC1
SCHEMBL4182253 0.78 GRM5 (0.46) PIK3CDHTTMAPTALDH1A1
SCHEMBL16585132 0.77 HSD17B10 (0.46) PIK3CDSMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL1313525 0.76 PIK3CD (0.64) PIK3CDCCR1CCR5CCR8ADORA2A
SCHEMBL16585318 0.76 PIK3CD (0.64) PIK3CDCCR1CCR5CCR8ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2020-02-13 US disclosed
US-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2020-02-13 US disclosed
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 US disclosed
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 US disclosed
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 US disclosed
US-9873701-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-9873701-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-9873701-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
EP-3045458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2016-07-20 EP disclosed
EP-3045458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2016-07-20 EP disclosed
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
EP-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 US disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 US disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 US disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 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 (4 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-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885DPP4 4588/4885CCR1 1193/4885
US-20090137581-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 PIK3CD 16/4885DPP4 4588/4885CCR1 1193/4885
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885DPP4 4588/4885CCR1 1193/4885
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885DPP4 4588/4885CCR1 1193/4885

“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.