SCHEMBL2473900

SCHEMBL2473900

COc1cc(Cl)c(C#N)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HSP90AA1 P07900 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
CCR6 P51684 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
SRC P12931 4/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
HSP90AB1 P08238 1/20 0.42

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
SCHEMBL27376906 0.84 SRC (0.45) GAANPC1ALDH1A1HSP90AA1MAPT
SCHEMBL2129737 0.82 KDM4E (0.41) ALDH1A1HSP90AA1KDM4EUSP2TAAR1
SCHEMBL11153594 0.82 NPC1 (0.60) GAANPC1ALDH1A1HSP90AA1MAPT
SCHEMBL2472257 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2SRCSLC22A12
SCHEMBL29328225 0.80 P2RX3 (0.42) GAANPC1ALDH1A1HSP90AA1KDM4E
SCHEMBL26561752 0.80 SRC (0.50) HSP90AA1SRCABL1BCRHSP90AB1
Chloroneb SCHEMBL22739 0.79 GAA (0.64) GAANPC1ALDH1A1HSP90AA1MAPT
SCHEMBL145418 0.79 TRPV4 (0.54) ALDH1A1MAPK1SLC22A12MAOBTRPV4
SCHEMBL24252866 0.79 SRC (0.43) ALDH1A1HSP90AA1KDM4EUSP2SRC
SCHEMBL15797427 0.79 GAA (0.60) GAANPC1ALDH1A1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4288516-A Polyester resin containing magnetic toner material and process for its use in flash fuser XEROX CORPORATION (US) 1981-09-08 US claimed
EP-0033248-A1 Magnetic toner and method for developing using same XEROX CORPORATION (US) 1981-08-05 EP claimed
US-20230339944-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE Oppilan Pharma Limited (GB) 2023-10-26 US disclosed
US-20230339944-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE Oppilan Pharma Limited (GB) 2023-10-26 US disclosed
US-20210163485-A1 Heterocyclic Compounds for the Treatment of Disease OPPILAN PHARMA LTD (GB) 2021-06-03 US disclosed
US-20200325135-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE OPPILAN PHARMA LTD (GB) 2020-10-15 US disclosed
US-10683291-B2 Heterocyclic compounds for the treatment of disease OPPILAN PHARMA LTD. (GB) 2020-06-16 US disclosed
US-20200071327-A1 Prodrugs for the Treatment of Disease OPPILAN PHARMA LTD (GB) 2020-03-05 US disclosed
US-20190241556-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE OPPILAN PHARMA LTD. (GB) 2019-08-08 US disclosed
WO-2017083756-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE OPPILAN PHARMA LTD. (US) 2017-05-18 WO disclosed
EP-2370438-A1 IMIDAZO [1,2A]PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION Exelixis, Inc. (US) 2011-10-05 EP disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
WO-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 WO disclosed
WO-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 WO disclosed
US-4377581-A ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1983-03-22 US disclosed
US-4351940-A Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines PFIZER INC. (US) 1982-09-28 US disclosed
US-4287341-A USEFUL AS ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1981-09-01 US disclosed
EP-0028473-A1 Chloro- and alkoxy-substituted-2,4-diaminoquinazolines and pharmaceutical compositions containing them PFIZER INC. (US) 1981-05-13 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 (7 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-20200325135-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, FH, TPMT GAA 69/4885NPC1 144/4885ALDH1A1 562/4885
US-20210163485-A1 Heterocyclic Compounds for the Treatment of Disease VHL, FH, TPMT GAA 70/4885NPC1 144/4885ALDH1A1 545/4885
US-20200071327-A1 Prodrugs for the Treatment of Disease DPYD, PAICS, TYMP GAA 179/4885NPC1 649/4885ALDH1A1 322/4885
US-20190241556-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, FH, TPMT GAA 69/4885NPC1 144/4885ALDH1A1 562/4885
US-10683291-B2 Heterocyclic compounds for the treatment of disease VHL, FH, TPMT GAA 69/4885NPC1 144/4885ALDH1A1 562/4885
US-20230339944-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, FH, TPMT GAA 69/4885NPC1 144/4885ALDH1A1 562/4885
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 GAA 4315/4885NPC1 241/4885ALDH1A1 1246/4885

“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.