SCHEMBL18298082

SCHEMBL18298082

Cc1ccc(C(=O)Nc2ccc(CO)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.80
CYP3A4 P08684 3/20 0.80
KCNH2 Q12809 3/20 0.80
ABL2 P42684 2/20 0.80
CSF1R P07333 2/20 0.80
GAK O14976 1/20 0.80
MLNR O43193 1/20 0.80
RIPK2 O43353 1/20 0.80
JAK2 O60674 1/20 0.80
NR1I2 O75469 1/20 0.80
ABCB11 O95342 1/20 0.80
MAP4K4 O95819 1/20 0.80
EGFR P00533 1/20 0.80
NR3C1 P04150 1/20 0.80
ERBB2 P04626 1/20 0.80
NTRK1 P04629 1/20 0.80
LCK P06239 1/20 0.80
FYN P06241 1/20 0.80
PGR P06401 1/20 0.80
YES1 P07947 1/20 0.80

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
SCHEMBL31697365 1.00 ABL1 (0.80) ABL1CYP3A4KCNH2ABL2CSF1R
SCHEMBL29888993 0.94 ABL1 (0.78) ABL1CYP3A4KCNH2ABL2CSF1R
SCHEMBL18298081 0.94 ABL1 (0.78) ABL1CYP3A4KCNH2ABL2CSF1R
SCHEMBL16241445 0.94 ABL1 (0.78) ABL1CYP3A4KCNH2ABL2CSF1R
SCHEMBL16250614 0.93 ABL1 (0.80) ABL1CYP3A4KCNH2ABL2CSF1R
SCHEMBL18298087 0.91 ABL1 (0.74) ABL1CYP3A4KCNH2ABL2CSF1R
SCHEMBL15061740 0.91 ABL1 (0.74) ABL1CYP3A4KCNH2ABL2CSF1R
SCHEMBL15144985 0.90 ABL1 (0.89) ABL1CYP3A4KCNH2ABL2CSF1R
SCHEMBL20143350 0.90 ABL1 (0.91) ABL1CYP3A4KCNH2ABL2CSF1R
SCHEMBL25756905 0.90 ABL1 (0.72) ABL1CYP3A4KCNH2ABL2CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988389-B2 Processes for making ponatinib and intermediates thereof APICORE US LLC (US) 2018-06-05 US claimed
US-20180044345-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF MYLAN API US LLC 2018-02-15 US claimed
US-20160362411-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF MYLAN API US LLC 2016-12-15 US claimed
WO-2016201203-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE US LLC (US) 2016-12-15 WO claimed
US-12440494-B2 Compounds useful for inhibiting RAF dimers ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2025-10-14 US disclosed
US-20220265669-A1 COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-08-25 US disclosed
US-20220265669-A1 COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-08-25 US disclosed
US-9988389-B2 Processes for making ponatinib and intermediates thereof APICORE US LLC (US) 2018-06-05 US disclosed
US-9988389-B2 Processes for making ponatinib and intermediates thereof APICORE US LLC (US) 2018-06-05 US disclosed
US-20180044345-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF MYLAN API US LLC 2018-02-15 US disclosed
US-20180044345-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF MYLAN API US LLC 2018-02-15 US disclosed
WO-2016201203-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE US LLC (US) 2016-12-15 WO disclosed
US-20160362411-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF MYLAN API US LLC 2016-12-15 US disclosed
US-20160362411-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF MYLAN API US LLC 2016-12-15 US disclosed
WO-2016201203-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE US LLC (US) 2016-12-15 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 (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-20220265669-A1 COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS BRAF, RAF1, NRAS ABL1 544/4885CYP3A4 3303/4885KCNH2 2753/4885
US-20180044345-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF ABL1, KRAS, ROS1 ABL1 1/4885CYP3A4 28/4885KCNH2 2441/4885
US-20160362411-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF ABL1, KRAS, ROS1 ABL1 1/4885CYP3A4 28/4885KCNH2 2441/4885
US-12440494-B2 Compounds useful for inhibiting RAF dimers BRAF, RAF1, NRAS ABL1 547/4885CYP3A4 3301/4885KCNH2 2797/4885

“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.