SCHEMBL13498028

SCHEMBL13498028

CC(C)c1ccc(OCC23CCC(N)(CC2)CC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ FKBP1A P62942 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ UBE2N P61088 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MRGPRX4 Q96LA9 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
SCHEMBL12519621 0.83 TDP1 (0.44) RAB9ANPC1TDP1SMN1; SMN2
SCHEMBL13498029 0.82 KDM4E (0.46) KMT2AMEN1KDM4ELMNASMN1; SMN2
SCHEMBL15075278 0.81 WDR5 (0.41) RAB9ANPC1
SCHEMBL13498041 0.81 KMT2A (0.48) KMT2AMEN1RXRARXRBFKBP1A
SCHEMBL13185146 0.79 SMN1; SMN2 (0.41) KMT2AMEN1RXRARXRBFKBP1A
SCHEMBL13165304 0.77 SMN1; SMN2 (0.42) RXRARXRBRAB9AKDM4ENPC1
SCHEMBL18737267 0.77 TLR9 (0.47) RAB9ANPC1HTTSMN1; SMN2MRGPRX4
SCHEMBL13337534 0.70 FKBP1A (0.42) KMT2AMEN1RXRARXRBFKBP1A
SCHEMBL15075253 0.70 ACHE (0.42) KMT2AKDM4EPOLBTDP1
SCHEMBL10824702 0.68 KMT2A (0.59) KMT2AMEN1RXRARXRBRAB9A

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-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 — — US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 — — US disclosed
US-8450335-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-28 — — US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 — — US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 — — 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 KMT2A 3318/4885MEN1 606/4885RXRA 1018/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 KMT2A 469/4885MEN1 3102/4885RXRA 4226/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KMT2A 3318/4885MEN1 606/4885RXRA 1018/4885

“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.

Send feedback