SCHEMBL144344

SCHEMBL144344

CCCOc1cc(C2=NN(C(=O)c3ccc(NC(=O)c4cccnc4)cc3)CCC2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
AAK1 Q2M2I8 3/20 0.43
PDE4B Q07343 1/20 0.42
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MCHR1 Q99705 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TRPV1 Q8NER1 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
SCHEMBL14402994 0.95 ABCB1 (0.44) ABCB1ABCG2ALDH1A1POLBLMNA
SCHEMBL146879 0.94 MAPK1 (0.47) ABCB1ABCG2ALDH1A1POLBLMNA
SCHEMBL147544 0.92 LMNA (0.51) ABCB1ABCG2ALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL7650133 0.91 LMNA (0.50) ABCB1ABCG2ALDH1A1POLBLMNA
SCHEMBL143145 0.87 ABL1 (0.51) ABCB1ABCG2ALDH1A1POLBLMNA
SCHEMBL146882 0.87 MAPK1 (0.46) ABCB1ABCG2ALDH1A1LMNAAAK1
Hydrochloric Acid SCHEMBL7652761 0.86 MAPK1 (0.45) ABCB1ABCG2ALDH1A1LMNAAAK1
SCHEMBL145065 0.86 PDE4A (0.51) ABCB1ABCG2ALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL7646226 0.86 PDE4D (0.50) ABCB1ABCG2ALDH1A1POLBPDE4B
SCHEMBL6603434 0.85 LMNA (0.50) ABCB1ABCG2ALDH1A1LMNAAAK1

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-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases MERK PANTENT GMBH (DE) 2005-03-31 US claimed
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2004-12-23 US claimed
EP-1463509-A1 TYPE 4 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF MERCK PATENT GmbH (DE) 2004-10-06 EP claimed
WO-2003037349-A1 TYPE 4 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2003-05-08 WO claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases MERK PANTENT GMBH (DE) 2005-03-31 US disclosed
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2004-12-23 US disclosed
US-6479494-B1 THEY INHIBIT SELECTIVELY PHOSPHODIESTERASE IV, WHICH CAUSES AN INCREASE OF THE INTRACELLULAR CAMP LEVEL AS CAMP INHIBITS BONE DECREASING CELLS AND STIMULATES BONE INCREASING CELLS FOR TREATMENT OF OSTEOPOROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-11-12 US disclosed
WO-2000059890-A1 TETRAHYDROPYRIDAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-10-12 WO disclosed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 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 (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-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 ABCB1 4804/4885ABCG2 4770/4885ALDH1A1 1103/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 ABCB1 4804/4885ABCG2 4770/4885ALDH1A1 1103/4885
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases PDE4A, PDE4B, PDE12 ABCB1 1476/4885ABCG2 2694/4885ALDH1A1 849/4885
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof PDE4A, PDE4B, PDE4C ABCB1 1138/4885ABCG2 1594/4885ALDH1A1 762/4885

“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.