SCHEMBL20357415

SCHEMBL20357415

O=C(O)N[C@H]1CC[C@H](Oc2ccnc(-c3cccnc3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NR2E3 Q9Y5X4 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GBA1 P04062 2/20 0.42
▸ IDE P14735 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP46A1 Q9Y6A2 1/20 0.41
▸ WNT1 P04628 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41

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
SCHEMBL20357206 0.87 L3MBTL1 (0.46) GABRA5IDEALDH1A1L3MBTL1CYP46A1
SCHEMBL18616063 0.86 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19CYP3A4KMT2A
SCHEMBL20357315 0.82 ABL1 (0.43) HTTALDH1A1L3MBTL1WNT1DYRK1A
SCHEMBL18616064 0.80 CYP2A6 (0.45) CYP1A2CYP2C9CYP2C19CYP3A4HTT
Hydrochloric Acid SCHEMBL20357454 0.79 CYP2A6 (0.44) CYP1A2CYP2C9CYP2C19CYP3A4HTT
Hydrochloric Acid SCHEMBL20357453 0.79 CYP2A6 (0.44) CYP1A2CYP2C9CYP2C19CYP3A4HTT
SCHEMBL18615518 0.76 ABL1 (0.46) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL20357380 0.76 ABL1 (0.46) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL20357344 0.75 ABL1 (0.46) —
SCHEMBL18615513 0.75 ABL1 (0.46) —

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-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 — — EP disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 — — US disclosed
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES, INC. (JP) 2018-08-23 — — US disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 — — 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 (2 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-10280145-B2 Urea derivative and use therefor UTS2R, DDR1, WEE1 CYP1A2 4745/4885CYP2C9 4544/4885CYP2C19 4354/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 CYP1A2 4745/4885CYP2C9 4544/4885CYP2C19 4354/4885

“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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