SCHEMBL16370809

SCHEMBL16370809

COc1cc([N+](=O)[O-])ccc1-c1ccnc(N(C)Cc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.53
CYP11B1 P15538 6/20 0.53
CYP11B2 P19099 6/20 0.53
LMNA P02545 1/20 0.45
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL16371310 0.82 CYP11B1 (0.44) CYP19A1CYP11B1CYP11B2ALDH1A1CYP1A2
SCHEMBL2184978 0.77 HTT (0.49) CYP19A1CYP11B1CYP11B2LMNACYP1A2
SCHEMBL16371453 0.76 NTRK1 (0.50) CYP19A1CYP11B1CYP11B2LMNACRHBP
SCHEMBL1492729 0.75 KMT2A (0.50) CYP19A1CYP11B1CYP11B2LMNAALDH1A1
SCHEMBL2144585 0.74 CYP19A1 (0.47) CYP19A1LMNACRHBPCRHR2POLB
SCHEMBL3185913 0.74 HTT (0.58) CYP19A1CYP11B1CYP11B2LMNAPOLB
SCHEMBL16371403 0.74 HTT (0.56) CYP19A1CYP11B1CYP11B2LMNAMAPT
SCHEMBL31061810 0.72 CYP19A1 (0.62) CYP19A1CYP11B1CYP11B2LMNAPOLB
SCHEMBL4436933 0.72 CYP19A1 (0.62) CYP19A1CYP11B1CYP11B2LMNAPOLB
SCHEMBL16371671 0.72 AAK1 (0.45) ALDH1A1KMT2AHTTSMN1; SMN2

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-10253027-B2 Aryl lactam kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-09 US disclosed
US-20160152621-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
EP-3019475-A1 ARYL AMIDE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-05-18 EP disclosed
WO-2015006100-A1 ARYL AMIDE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 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 (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-20160152621-A1 ARYL LACTAM KINASE INHIBITORS AAK1, ADCK1, ANKK1 CYP19A1 3114/4885CYP11B1 4562/4885CYP11B2 4673/4885
US-10253027-B2 Aryl lactam kinase inhibitors AAK1, ADCK1, ANKK1 CYP19A1 3114/4885CYP11B1 4562/4885CYP11B2 4673/4885

“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.