SCHEMBL12112208

SCHEMBL12112208

O=c1nc2c3ncn(Cc4ccccc4Cl)c3ncnc-2n1Cc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.43
▸ USP2 O75604 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SLC29A1 Q99808 1/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ YTHDC1 Q96MU7 3/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ PI4KA P42356 1/20 0.39
▸ PI4K2B Q8TCG2 1/20 0.39
▸ PI4K2A Q9BTU6 1/20 0.39

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
SCHEMBL15214176 0.88 RXFP1 (0.46) USP2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL1312875 0.84 HPGD (0.48) USP2TSHRSLC29A1PIK3CDADORA2A
SCHEMBL12112236 0.82 PIK3CD (0.47) TSHRPIK3CDADORA2AADORA1
SCHEMBL12112229 0.81 SLC29A1 (0.43) MAPK1SLC29A1PIK3CDADORA2AALDH1A1
SCHEMBL12112232 0.81 PIK3CD (0.39) PIK3CDADORA2API4KAPI4K2BPI4K2A
SCHEMBL12112250 0.81 PIK3CD (0.37) PIK3CDADORA2API4KAPI4K2BPI4K2A
SCHEMBL12112239 0.81 MEN1 (0.41) MAPK1PIK3CDYTHDC1ADORA2API4KA
SCHEMBL12112249 0.81 SLC29A1 (0.43) SLC29A1PIK3CDYTHDC1ADORA2AADORA1
SCHEMBL12112225 0.81 PDE4A (0.48) MAPK1USP2CYP1A2CYP2C9CYP2C19
SCHEMBL16123777 0.81 PIK3CD (0.41) TSHRPIK3CDADORA2AADORA1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160319366-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-03 — — US disclosed
US-20160319366-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-03 — — US disclosed
US-9322831-B2 DDX3 as a biomarker for cancer and methods related thereto THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-26 — — US disclosed
US-9322831-B2 DDX3 as a biomarker for cancer and methods related thereto THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-26 — — US disclosed
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY 2013-10-24 — — US disclosed
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY 2013-10-24 — — US disclosed
US-8518901-B2 Fused diimidazodiazepine compounds and methods of use and manufacture thereof THE JOHNS HOPKINS UNIVERSITY (US) 2013-08-27 — — US disclosed
US-8518901-B2 Fused diimidazodiazepine compounds and methods of use and manufacture thereof THE JOHNS HOPKINS UNIVERSITY (US) 2013-08-27 — — US disclosed
US-20110275588-A1 Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof HOSMANE, RAMACHANDRA S. 2011-11-10 — — 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-20160319366-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO DDX3X, DDB1, DDX24 MAPK1 3019/4885USP2 604/4885CYP1A2 4168/4885
US-20110275588-A1 Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof IKZF3, AADAC, IKBKE MAPK1 3889/4885USP2 3803/4885CYP1A2 1104/4885
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO DDX3X, DDB1, DDX24 MAPK1 3019/4885USP2 604/4885CYP1A2 4168/4885

“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.

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