SCHEMBL17618824

SCHEMBL17618824

Cc1cncc(NC(=O)N2c3nc(-c4cccc(Cl)c4)ccc3N3C[C@@H](O)[C@H]2C3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ BRAF P15056 1/20 0.36
▸ FYN P06241 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ PRMT5 O14744 4/20 0.35
▸ WDR77 Q9BQA1 4/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ GRM5 P41594 3/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34

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
SCHEMBL17618825 0.90 ABL1 (0.35) MAPTMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL17618830 0.88 TSHR (0.46) MAPTCNR2ABL1TSHR
SCHEMBL17618819 0.88 PHGDH (0.42) MAPTMEN1KMT2ABRAFFYN
SCHEMBL17618834 0.83 SCN10A (0.41) MAPTCYP1A2PRMT5WDR77ABL1
SCHEMBL17618826 0.83 POLB (0.41) MAPTMEN1KMT2ABRAFFYN
SCHEMBL17618831 0.83 BRAF (0.43) MAPTBRAFFYNCNR2CNR1
SCHEMBL17618835 0.82 ABL1 (0.38) MAPTMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL17618832 0.81 MPL (0.41) CNR2CNR1GRM5TSHRHCRTR1
SCHEMBL16249977 0.81 CNR2 (0.51) KMT2ACNR2CNR1GRM5HCRTR1
SCHEMBL17618837 0.80 BRAF (0.36) BRAFCNR2CNR1GRM5HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 303/4885MEN1 3505/4885CYP1A2 3430/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 267/4885MEN1 3676/4885CYP1A2 3492/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAPT 267/4885MEN1 3676/4885CYP1A2 3492/4885

“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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