SCHEMBL6606481

SCHEMBL6606481

Clc1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.76
MEN1 O00255 2/20 0.76
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
C5AR1 P21730 1/20 0.57
ALDH1A1 P00352 7/20 0.56
MAPK1 P28482 1/20 0.56
TP53 P04637 1/20 0.56
PNMT P11086 1/20 0.52
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ACHE P22303 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CLPP Q16740 1/20 0.50
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL11838459 0.92 MEN1 (0.65) KMT2AMEN1NPC1RAB9AC5AR1
SCHEMBL11833023 0.90 KMT2A (0.66) KMT2AMEN1NPC1RAB9AC5AR1
Hydrochloric Acid SCHEMBL11836996 0.89 MEN1 (0.64) KMT2AMEN1NPC1RAB9AC5AR1
SCHEMBL7638824 0.86 MEN1 (1.00) KMT2AMEN1NPC1RAB9AC5AR1
SCHEMBL16210859 0.85 KMT2A (0.60) KMT2AMEN1NPC1RAB9AC5AR1
SCHEMBL17792388 0.85 MEN1 (0.60) KMT2AMEN1NPC1RAB9AC5AR1
SCHEMBL6609886 0.84 MEN1 (0.73) KMT2AMEN1NPC1RAB9AC5AR1
SCHEMBL15131972 0.82 KMT2A (0.57) KMT2AMEN1NPC1RAB9AC5AR1
SCHEMBL16400998 0.82 C5AR1 (0.59) KMT2AMEN1NPC1RAB9AC5AR1
SCHEMBL12301081 0.82 KMT2A (0.70) KMT2AMEN1NPC1RAB9AC5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851427-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-26 US disclosed
US-20210130349-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-05-06 US disclosed
US-20210130349-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-05-06 US disclosed
US-10899756-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-01-26 US disclosed
EP-3022205-B1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2020-02-05 EP disclosed
EP-3022205-B1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2020-02-05 EP disclosed
US-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-02 US disclosed
US-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-02 US disclosed
US-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-02 US disclosed
EP-3022205-A2 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2016-05-25 EP disclosed
WO-2015009930-A2 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-01-22 WO disclosed
WO-2015009930-A2 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-01-22 WO disclosed
EP-0997462-B1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF NIPPON KAYAKU KK (JP) 2004-12-22 EP disclosed
US-6294547-B1 Naphthyridine deratives or salts thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-09-25 US disclosed
EP-0997462-A1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-03 EP 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-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE2A, PDE3A KMT2A 1442/4885MEN1 3763/4885NPC1 3604/4885
US-11851427-B2 Phosphodiesterase inhibitors and uses thereof PDE5A, PDE2A, PDE3A KMT2A 1299/4885MEN1 3414/4885NPC1 3586/4885
US-10899756-B2 Phosphodiesterase inhibitors and uses thereof PDE5A, PDE2A, PDE3A KMT2A 1299/4885MEN1 3414/4885NPC1 3586/4885
US-20210130349-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE2A, PDE3A KMT2A 1442/4885MEN1 3763/4885NPC1 3604/4885

“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.