SCHEMBL18394840

SCHEMBL18394840

COc1ccc2c(N[C@]3(C)CCOC3)ncnc2c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 3/20 0.37
▸ PDE1A P54750 2/20 0.37
▸ PDE1C Q14123 2/20 0.37
▸ CHRM4 P08173 2/20 0.35
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ EGFR P00533 4/20 0.34
▸ PDE4B Q07343 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PDE5A O76074 1/20 0.32
▸ KDR P35968 5/20 0.32
▸ RET P07949 3/20 0.32
▸ KIF5B P33176 3/20 0.32
▸ FLT1 P17948 2/20 0.32

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
SCHEMBL17142297 1.00 PDE1B (0.37) PDE1BPDE1APDE1CCHRM4CCNT1
SCHEMBL17142270 1.00 PDE1B (0.37) PDE1BPDE1APDE1CCHRM4CCNT1
SCHEMBL16822550 0.87 PDE1B (0.51) PDE1BPDE1APDE1CPDE4BKDM4E
SCHEMBL17154328 0.86 PDE1A (0.37) PDE1BPDE1APDE1CCHRM4EGFR
SCHEMBL17142268 0.79 PDE1B (0.48) PDE1BPDE1APDE1CCHRM4EGFR
SCHEMBL17142302 0.76 PDE1B (0.52) PDE1BPDE1APDE1CCCNT1CDK9
SCHEMBL17142244 0.73 JAK2 (0.47) PDE1BPDE1APDE1CTSHRKCNH2
SCHEMBL16822569 0.73 PDE1B (0.53) PDE1BPDE1APDE1CPDE4BKDM4E
SCHEMBL17142299 0.70 CYP1A2 (0.45) EGFRMAPTTSHRHSD17B10
SCHEMBL17142254 0.70 PDE1B (0.37) PDE1BPDE1APDE1CCHRM4EGFR

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 4 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
US-20170022186-A1 Halogenated Quinazolin-THF-Amines as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2017-01-26 — — 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 (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 PDE1B 15/4885PDE1A 13/4885PDE1C 38/4885
US-10005764-B2 Halogenated quinazolin-THF-amines as PDE1 inhibitors PDE12, PDE3A, PDE7B PDE1B 15/4885PDE1A 13/4885PDE1C 38/4885
US-20170022186-A1 Halogenated Quinazolin-THF-Amines as PDE1 Inhibitors PDE12, PDE3A, PDE7B PDE1B 15/4885PDE1A 13/4885PDE1C 38/4885

“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.

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