SCHEMBL17142256

SCHEMBL17142256

COc1ccc2c(=O)[nH]cnc2c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.47
PIM1 P11309 4/20 0.44
RPS6KA3 P51812 2/20 0.44
ABL1 P00519 2/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
IGF1R P08069 1/20 0.44
MET P08581 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
PRKACA P17612 1/20 0.44
FLT1 P17948 1/20 0.44
LTK P29376 1/20 0.44

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
Hydrochloric Acid SCHEMBL28110891 0.98 PARP1 (0.46) PARP1PIM1RPS6KA3ABL1AURKA
SCHEMBL24392463 0.83 PARP1 (0.49) PARP1PIM1RPS6KA3ABL1AURKA
SCHEMBL17142276 0.81 PARP1 (0.51) PARP1PIM1RPS6KA3ABL1AURKA
SCHEMBL17142252 0.81 PARP1 (0.51) PARP1PIM1RPS6KA3ABL1AURKA
Hydrochloric Acid SCHEMBL28110843 0.80 PARP1 (0.50) PARP1PIM1RPS6KA3ABL1AURKA
Hydrochloric Acid SCHEMBL28110896 0.80 PARP1 (0.50) PARP1PIM1RPS6KA3ABL1AURKA
SCHEMBL3234194 0.78 PARP1 (0.63) PARP1PIM1RPS6KA3ABL1AURKA
SCHEMBL31728550 0.77 IP6K1 (0.51) PARP1PIM1RPS6KA3ABL1AURKA
SCHEMBL3034158 0.77 BRD4 (0.47) ABL1PRKD3RETPRKCQDYRK1A
SCHEMBL15845792 0.75 PARP1 (0.47) PARP1PIM1RPS6KA3ABL1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3126354-B1 HALOGENATED QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H LUNDBECK AS (DK) 2020-01-22 EP disclosed
US-20190144434-A1 HALOGENATED QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2019-05-16 US disclosed
US-10005764-B2 Halogenated quinazolin-THF-amines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2018-06-26 US disclosed
EP-3126354-A1 HALOGENATED QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H. Lundbeck A/S (DK) 2017-02-08 EP disclosed
US-20170022186-A1 Halogenated Quinazolin-THF-Amines as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2017-01-26 US disclosed
WO-2015150254-A1 HALOGENATED QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2015-10-08 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 (3 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-20190144434-A1 HALOGENATED QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS PDE12, PDE3A, PDE7B PARP1 153/4885PIM1 3565/4885RPS6KA3 2903/4885
US-10005764-B2 Halogenated quinazolin-THF-amines as PDE1 inhibitors PDE12, PDE3A, PDE7B PARP1 153/4885PIM1 3565/4885RPS6KA3 2903/4885
US-20170022186-A1 Halogenated Quinazolin-THF-Amines as PDE1 Inhibitors PDE12, PDE3A, PDE7B PARP1 153/4885PIM1 3565/4885RPS6KA3 2903/4885

“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.