SCHEMBL21562565

SCHEMBL21562565

CC(CNC(=N)NC(=N)N)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 7/20 0.41
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ HTR2A P28223 3/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ GPR84 Q9NQS5 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ HTR2B P41595 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36

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
SCHEMBL20258543 0.75 NOTUM (0.56) MTNR1AMTNR1BHTR2AGPR84
SCHEMBL21562520 0.75 MTNR1A (0.39) TDO2MTNR1AMTNR1BHTR2AGPR84
SCHEMBL6469180 0.75 HTR2A (0.62) TDO2NR3C1HTR2AHTR2CGPR84
Hydrochloric Acid SCHEMBL21546051 0.73 HTR2A (0.60) TDO2NR3C1HTR2AHTR2CGPR84
SCHEMBL27524772 0.72 GPR84 (0.42) TDO2NR3C1HTR2AHTR2CGPR84
SCHEMBL20258542 0.71 HTR2A (0.60) MTNR1AMTNR1BNR3C1HTR2AHTR2C
SCHEMBL12950449 0.70 GPR84 (0.53) TDO2HTR2AHTR2CGPR84
SCHEMBL31158762 0.70 GPR84 (0.53) TDO2HTR2AHTR2CGPR84
SCHEMBL20258597 0.68 NOTUM (0.70) MTNR1AMTNR1BHTR2A
SCHEMBL21562489 0.68 HTR1A (0.56) HTR2AHTR2CGPR84HTR2B

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
US-11834411-B2 Fused bicyclic alkylene linked imidodicarbonimidic diamides, methods for synthesis, and uses in therapy NOVATARG, INC. (US) 2023-12-05 — — US disclosed
US-20220213036-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY NOVATARG, INC. 2022-07-07 — — US disclosed
US-20190345103-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY NOVATARG, INC. 2019-11-14 — — US disclosed
US-9387254-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX LLC (US) 2016-07-12 — — 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-20220213036-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY SLC16A7, SLC16A1, HADHB TDO2 2267/4885MTNR1A 2658/4885MTNR1B 1872/4885
US-20190345103-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY SLC16A7, SLC16A1, HADHB TDO2 2267/4885MTNR1A 2658/4885MTNR1B 1872/4885
US-11834411-B2 Fused bicyclic alkylene linked imidodicarbonimidic diamides, methods for synthesis, and uses in therapy SLC16A7, SLC16A1, HADHB TDO2 2267/4885MTNR1A 2658/4885MTNR1B 1872/4885

“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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