SCHEMBL11225571

SCHEMBL11225571

Clc1cc2nc(-c3ccncc3)[nH]c2cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 5/20 1.00
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 4/20 0.66
HPGD P15428 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
HSD17B10 Q99714 1/20 0.66
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
PKN1 Q16512 4/20 0.57
PKN2 Q16513 4/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.54
GUSB P08236 1/20 0.52
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL23709817 0.97 RHEB (0.94) RHEBKDM4EALDH1A1HPGDCYP1A2
SCHEMBL30615082 0.84 RHEB (0.73) RHEBKDM4EALDH1A1HPGDCYP3A4
SCHEMBL9000174 0.84 RHEB (0.73) RHEBKDM4EALDH1A1HPGDCYP3A4
SCHEMBL30943399 0.81 RHEB (0.69) RHEBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10736415 0.81 RHEB (0.69) RHEBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6324494 0.81 RHEB (0.69) RHEBKDM4EALDH1A1HPGDCYP1A2
SCHEMBL25206796 0.81 RHEB (0.69) RHEBKDM4EALDH1A1HPGDCYP3A4
SCHEMBL7164766 0.81 KDM4E (0.73) RHEBKDM4EALDH1A1HPGDCYP1A2
SCHEMBL7164761 0.81 RHEB (0.69) RHEBKDM4EALDH1A1HPGDCYP1A2
SCHEMBL24075038 0.81 RHEB (0.68) RHEB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336257-A XANTHINE OXIDASE INHIBITORS OR ANTIHYPERTENSIVE AGENTS MERCK & CO., INC. (US) 1982-06-22 US claimed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
WO-2018191146-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-10-18 WO disclosed
US-4336257-A XANTHINE OXIDASE INHIBITORS OR ANTIHYPERTENSIVE AGENTS MERCK & CO., INC. (US) 1982-06-22 US disclosed
US-4281005-A XANTHINE OXIDASE INHIBITORS AND AS ANTIHYPERTENSIVE MERCK & CO., INC. (US) 1981-07-28 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 (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-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS RHEB 1/4885KDM4E 2462/4885ALDH1A1 3621/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS RHEB 1/4885KDM4E 3566/4885ALDH1A1 3277/4885

“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.