SCHEMBL19989223

SCHEMBL19989223

Clc1cc(-c2ccn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
KCNN4 O15554 2/20 0.36
KCNA3 P22001 2/20 0.36
ACHE P22303 4/20 0.35
MAOA P21397 3/20 0.34
MAOB P27338 2/20 0.34
METAP1 P53582 1/20 0.33
AURKA O14965 1/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP19A1 P11511 2/20 0.33
SLC22A1 O15245 1/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL20000424 0.79 KDM4E (0.63) KDM4EACHEMAOAMAOBMETAP1
SCHEMBL19989137 0.76 KDM4E (0.40) KDM4EKCNN4KCNA3ACHEMAOA
SCHEMBL3846649 0.72 HSD11B1 (0.41) KDM4EKCNN4KCNA3MEN1LMNA
SCHEMBL5800759 0.71 KMT2A (0.52) KDM4EKCNN4KCNA3MEN1USP2
SCHEMBL3844590 0.70 HSD11B1 (0.44) KCNN4KCNA3CYP2C9
SCHEMBL785473 0.69 ACHE (0.61) KDM4EACHEMAOAMAOBMEN1
SCHEMBL29793367 0.69 ACHE (0.61) KDM4EACHEMAOAMAOBMEN1
SCHEMBL3852141 0.69 KDM4E (0.47) KDM4EKCNN4KCNA3METAP1LMNA
SCHEMBL2332712 0.69 MEN1 (0.47) KDM4EMEN1LMNACYP1A2CYP3A4
SCHEMBL6751108 0.67 MEN1 (0.60) KDM4EMAOAMAOBMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086747-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
WO-2018057808-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 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 (1 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-20180086747-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, TNNI3K KDM4E 3192/4885KCNN4 1849/4885KCNA3 1346/4885

“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.