SCHEMBL19397285

SCHEMBL19397285

CC(C)(C)c1cncc(-n2cnnn2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
F2 P00734 1/20 0.40
KCNJ1 P48048 4/20 0.39
TP53 P04637 1/20 0.36

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
SCHEMBL17858623 0.77 NOTUM (0.67) NOTUMMAPTALDH1A1LMNAHTT
SCHEMBL19397284 0.77 NOTUM (0.71) NOTUMNPC1RAB9AMAPTALDH1A1
SCHEMBL2054614 0.75 NOTUM (0.58) NOTUMNPC1RAB9AMAPTALDH1A1
SCHEMBL21848980 0.75 CYP11B2 (0.35)
SCHEMBL19728977 0.75 CYP2A6 (0.46) MAPTALDH1A1
SCHEMBL19381177 0.71 NOTUM (0.45) NOTUMMAPTALDH1A1LMNAHTT
SCHEMBL19398294 0.70 NOTUM (0.39) NOTUMNPC1RAB9AMAPTALDH1A1
SCHEMBL21849206 0.70 KDM4E (0.44) NOTUMMAPTALDH1A1LMNA
SCHEMBL14919351 0.70 SMN1; SMN2 (0.48) NOTUMRAB9AMAPTALDH1A1LMNA
SCHEMBL20342425 0.70 NOTUM (0.44) NOTUMMAPTALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-01-28 US disclosed
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-11-24 US disclosed
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-06-06 US disclosed
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2017-09-28 US disclosed
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2017-09-28 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 (4 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-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 NOTUM 2800/4885NPC1 2896/4885RAB9A 546/4885
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 NOTUM 4287/4885NPC1 421/4885RAB9A 1637/4885
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 NOTUM 2800/4885NPC1 2896/4885RAB9A 546/4885
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 NOTUM 2800/4885NPC1 2896/4885RAB9A 546/4885

“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.