SCHEMBL11599658

SCHEMBL11599658

Clc1nc2cccc(Cl)c2cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
CYP2A6 P11509 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CYP1A2 P05177 2/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PDE5A O76074 1/20 0.39
MAPK1 P28482 1/20 0.39
PSMB5 P28074 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
BCHE P06276 1/20 0.38
DHODH Q02127 1/20 0.37
GUSB P08236 2/20 0.37
C1R P00736 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2717700 0.85 NT5E (0.51) KDM4EPKMPDE3BPDE3AMAPK1
SCHEMBL12277879 0.83 KDM4E (0.44) KDM4EPKMTDP1CYP1A2MAOA
SCHEMBL17718346 0.80 PDE3B (0.42) KDM4ECYP2A6TDP1PDE3BPDE3A
SCHEMBL17718342 0.80 CYP2A6 (0.40) KDM4EPKMCYP2A6PDE3BPDE3A
SCHEMBL30644242 0.79 KDM4E (0.53) KDM4EPKMTDP1MAPK1PSMB5
SCHEMBL10816949 0.79 KDM4E (0.53) KDM4EPKMTDP1MAPK1PSMB5
SCHEMBL17658222 0.79 KDM4E (0.41) KDM4EPKMTDP1CYP1A2MAOA
SCHEMBL17718340 0.77 FABP3 (0.40) KDM4ECYP2A6PDE3BPDE3APSMB5
SCHEMBL17718349 0.77 MAPT (0.37) CYP2A6TDP1PDE3BPDE3ACYP1A2
SCHEMBL17549872 0.74 PDE3B (0.45) KDM4EPKMCYP2A6TDP1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941162-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-10919914-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2021-02-16 US disclosed
US-20190330240-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2019-10-31 US disclosed
US-20190135833-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2019-05-09 US disclosed
US-10253047-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-04-09 US disclosed
US-20170369511-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2017-12-28 US disclosed
US-9708348-B2 Trisubstituted bicyclic heterocyclic compounds with kinase activities and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-9708348-B2 Trisubstituted bicyclic heterocyclic compounds with kinase activities and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-05-05 US disclosed
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-05-05 US disclosed
US-4071520-A Method for preparing carbostyril derivatives IMC CHEMICAL GROUP, INC. (US) 1978-01-31 US disclosed
US-4049810-A DICHLOROQUINOLINE OR QUINOLONE IMC CHEMICAL GROUP, INC. (US) 1977-09-20 US disclosed
US-4006148-A Carbostyril derivatives used as coccidiostats IMC CHEMICAL GROUP, INC. (US) 1977-02-01 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 (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-10919914-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB KDM4E 3893/4885PKM 309/4885CYP2A6 2986/4885
US-20170369511-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM4E 3893/4885PKM 309/4885CYP2A6 2986/4885
US-20190135833-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM4E 3893/4885PKM 309/4885CYP2A6 2986/4885
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM4E 3893/4885PKM 309/4885CYP2A6 2986/4885
US-10941162-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB KDM4E 3624/4885PKM 341/4885CYP2A6 2373/4885
US-20190330240-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM4E 3893/4885PKM 309/4885CYP2A6 2986/4885
US-10253047-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB KDM4E 3689/4885PKM 472/4885CYP2A6 2795/4885

“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.